2-methyl-5-(4-phenethylsulfanylphenyl)-3-phenyl-4-(propanoylamino)benzoic acid

Systemtic Name: 2-methyl-5-(4-phenethylsulfanylphenyl)-3-phenyl-4-(propanoylamino)benzoic acid Openeye Name: 2-methyl-5-(4-phenethylsulfanylphenyl)-3-phenyl-4-(propanoylamino)benzoic acid CAS Name: 2-methyl-4-(1-oxopropylamino)-5-[4-(phenethylthio)phenyl]-3-phenylbenzoic acid IUPAC Name: 2-methyl-5-(4-phenethylsulfanylphenyl)-3-phenyl-4-(propanoylamino)benzoic acid Traditional Name: 2-methyl-5-[4-(phenethylthio)phenyl]-3-phenyl-4-propionamido-benzoic acid Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)SCCC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=C(C(=C(C=C1C2=CC=C(C=C2)SCCC3=CC=CC=C3)C(=O)O)C)C4=CC=CC=C4

InChI

InChI=1S/C31H29NO3S/c1-3-28(33)32-30-27(20-26(31(34)35)21(2)29(30)24-12-8-5-9-13-24)23-14-16-25(17-15-23)36-19-18-22-10-6-4-7-11-22/h4-17,20H,3,18-19H2,1-2H3,(H,32,33)(H,34,35)