(3-cyano-3,3-diphenyl-propyl) 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)OCCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O3S/c1-34-20-17-25(30-26(31)22-11-5-2-6-12-22)27(32)33-19-18-28(21-29,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25H,17-20H2,1H3,(H,30,31)