3-[(3,4-dimethoxyphenyl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3,4-dimethoxybenzoyl)-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3,4-dimethoxybenzoyl)-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[methyl(veratroyl)amino]-5-phenyl-2-thenoic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H19NO5S/c1-22(20(23)14-9-10-16(26-2)17(11-14)27-3)15-12-18(28-19(15)21(24)25)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,24,25)