[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)SC)/N

InChI

InChI=1S/C17H18N2O4S/c1-11(19)14(9-18)16(21)10-23-17(22)8-7-15(20)12-3-5-13(24-2)6-4-12/h3-6H,7-8,10,19H2,1-2H3/b14-11+