[(E)-3-phenylprop-2-enyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(E)-cinnamyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [(E)-cinnamyl] ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC[C@H](C(=O)OC/C=C/C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H22ClNO3S/c1-27-15-13-19(23-20(24)17-9-11-18(22)12-10-17)21(25)26-14-5-8-16-6-3-2-4-7-16/h2-12,19H,13-15H2,1H3,(H,23,24)/b8-5+/t19-/m1/s1