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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-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=CC=C1Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCC#C)NC(=O)C1=CC=CC=C1Cl

InChI

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