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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-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-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H20ClN3O4S MolecularWeight: 409.8871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3-6,15H,7-8,10,21H2,1-2H3,(H,22,24)/b14-11+