(4-morpholin-4-yl-4-oxidanylidene-butyl) 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-morpholin-4-yl-4-oxidanylidene-butyl) 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-morpholino-4-oxo-butyl) 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [4-(4-morpholinyl)-4-oxobutyl] ester IUPAC Name: (4-morpholin-4-yl-4-oxobutyl) 2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (4-keto-4-morpholino-butyl) ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCCC(=O)N1CCOCC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CSCCC(C(=O)OCCCC(=O)N1CCOCC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H27ClN2O5S/c1-29-14-8-17(22-19(25)15-4-6-16(21)7-5-15)20(26)28-11-2-3-18(24)23-9-12-27-13-10-23/h4-7,17H,2-3,8-14H2,1H3,(H,22,25)