[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CS2)/N

InChI

InChI=1S/C17H15N3O5S2/c1-11(19)13(9-18)15(21)10-25-17(22)12-5-2-3-6-14(12)20-27(23,24)16-7-4-8-26-16/h2-8,20H,10,19H2,1H3/b13-11+