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

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3,4-dimethylbenzoyl)-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(3,4-dimethylphenyl)-oxomethyl]-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3,4-dimethylbenzoyl)-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3,4-dimethylbenzoyl)-methyl-amino]-5-phenyl-2-thenoic acid Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C21H19NO3S/c1-13-9-10-16(11-14(13)2)20(23)22(3)17-12-18(26-19(17)21(24)25)15-7-5-4-6-8-15/h4-12H,1-3H3,(H,24,25)