[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H19ClN4O6S MolecularWeight: 454.88466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)/N

InChI

InChI=1S/C18H19ClN4O6S/c1-10(21)13(8-20)16(24)9-29-18(26)15(5-6-30-2)22-17(25)12-4-3-11(23(27)28)7-14(12)19/h3-4,7,15H,5-6,9,21H2,1-2H3,(H,22,25)/b13-10+