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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]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-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5S/c1-10-3-5-12(6-4-10)24(21,22)18-8-15(20)23-9-14(19)13(7-16)11(2)17/h3-6,18H,8-9,17H2,1-2H3/b13-11+