[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C15H13N3O5S2 MolecularWeight: 379.41082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C15H13N3O5S2/c16-6-5-10-1-3-12(4-2-10)18-13(19)8-23-15(20)11-7-14(24-9-11)25(17,21)22/h1-4,7,9H,5,8H2,(H,18,19)(H2,17,21,22)