(4-cyanophenyl)methyl (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-cyanophenyl)methyl (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (4-cyanobenzyl) ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCC[C@H](C(=O)OCC1=CC=C(C=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-27-11-10-18(23-19(24)16-6-8-17(21)9-7-16)20(25)26-13-15-4-2-14(12-22)3-5-15/h2-9,18H,10-11,13H2,1H3,(H,23,24)/t18-/m1/s1