(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C18H20ClN3O4S/c1-11(21)14(9-20)16(23)10-26-18(25)15(7-8-27-2)22-17(24)12-3-5-13(19)6-4-12/h3-6,14-15,21H,7-8,10H2,1-2H3,(H,22,24)/t14?,15-/m0/s1