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

Systemtic Name: 3-[(3-methoxyphenyl)methyl-(4-methylphenyl)carbonyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-methoxyphenyl)methyl-(4-methylbenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-methoxyphenyl)methyl-[(4-methylphenyl)-oxomethyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-methoxyphenyl)methyl-(4-methylbenzoyl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[m-anisyl(p-toluoyl)amino]-5-phenyl-2-thenoic acid Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OC)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OC)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H23NO4S/c1-18-11-13-21(14-12-18)26(29)28(17-19-7-6-10-22(15-19)32-2)23-16-24(33-25(23)27(30)31)20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,30,31)