CHEBI:104976 - 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester
ChEBI ID CHEBI:104976
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H21N3O4S
Net Charge 0
Average Mass 375.444
Monoisotopic Mass 375.12528
InChI InChI=1S/C18H21N3O4S/c1-4-6-13(22)21-17-14(18(24)25-3)10(2)15(26-17)16(23)20-12-8-5-7-11(19)9-12/h5,7-9H,4,6,19H2,1-3H3,(H,20,23)(H,21,22)
InChIKey WFNIXDMUVPMPSZ-UHFFFAOYSA-N
SMILES CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC=CC(=C2)N)C)C(=O)OC
ChEBI Ontology
Outgoing 5-[(3-aminoanilino)-oxomethyl]-4-methyl-2-(1-oxobutylamino)-3-thiophenecarboxylic acid methyl ester (CHEBI:104976) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-16339 LINCS
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