(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H22ClNO5S/c1-27-21(26)18(14-8-4-3-5-9-14)28-20(25)17(12-13-29-2)23-19(24)15-10-6-7-11-16(15)22/h3-11,17-18H,12-13H2,1-2H3,(H,23,24)