3-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]-4-methyl-benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C24H22N2O4S/c1-15-11-12-18(24(29)30)13-21(15)26-23(28)22(17-7-4-3-5-8-17)31-20-10-6-9-19(14-20)25-16(2)27/h3-14,22H,1-2H3,(H,25,27)(H,26,28)(H,29,30)