[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C17H14BrN3O5S2 MolecularWeight: 484.34416

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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=C(S2)Br)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC=C(S2)Br)/N

InChI

InChI=1S/C17H14BrN3O5S2/c1-10(20)12(8-19)14(22)9-26-17(23)11-4-2-3-5-13(11)21-28(24,25)16-7-6-15(18)27-16/h2-7,21H,9,20H2,1H3/b12-10+