CHEBI:105514 - 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester

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ChEBI Name 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester ChEBI ID CHEBI:105514 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22N2O4S2 Net Charge 0 Average Mass 394.511 Monoisotopic Mass 394.10210 InChI InChI=1S/C18H22N2O4S2/c1-4-23-18(22)16-14(12-5-6-12)8-26-17(16)19-15(21)9-25-7-13-10(2)20-24-11(13)3/h8,12H,4-7,9H2,1-3H3,(H,19,21) InChIKey MHTRURIKBXQYST-UHFFFAOYSA-N SMILES CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSCC3=C(ON=C3C)C Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:105514) is a thiophenecarboxylic acid (CHEBI:48436) Manual Xref Database LSM-16877 LINCS View more database links