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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H19NO3S/c1-3-14-9-11-16(12-10-14)20(23)22(2)17-13-18(26-19(17)21(24)25)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,24,25)