[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C17H19ClN2O4S/c1-3-9-19-15(21)11-24-17(23)14(8-10-25-2)20-16(22)12-4-6-13(18)7-5-12/h1,4-7,14H,8-11H2,2H3,(H,19,21)(H,20,22)/t14-/m1/s1