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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CSC1=CC=C(C=C1)Cl)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSC1=CC=C(C=C1)Cl)/N

InChI

InChI=1S/C14H13ClN2O3S/c1-9(17)12(6-16)13(18)7-20-14(19)8-21-11-4-2-10(15)3-5-11/h2-5H,7-8,17H2,1H3/b12-9+