[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C16H18N2O5S/c1-11-3-5-13(6-4-11)24(21,22)8-7-16(20)23-10-15(19)14(9-17)12(2)18/h3-6H,7-8,10,18H2,1-2H3/b14-12+