CHEBI:109419 - 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester

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ChEBI Name 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester ChEBI ID CHEBI:109419 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 C17H19NO3S Net Charge 0 Average Mass 317.404 Monoisotopic Mass 317.10856 InChI InChI=1S/C17H19NO3S/c1-10-8-12(9-19)11(2)18(10)16-15(17(20)21-3)13-6-4-5-7-14(13)22-16/h8-9H,4-7H2,1-3H3 InChIKey OXFIWBCFEMDNNG-UHFFFAOYSA-N SMILES CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C(=O)OC)C)C=O 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 2-(3-formyl-2,5-dimethyl-1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester (CHEBI:109419) is a thiophenecarboxylic acid (CHEBI:48436) Manual Xref Database LSM-20817 LINCS View more database links