[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C16H17ClN2O3S/c1-11(19)14(9-18)15(20)10-22-16(21)3-2-8-23-13-6-4-12(17)5-7-13/h4-7H,2-3,8,10,19H2,1H3/b14-11+