[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C16H18N2O5S3 MolecularWeight: 414.51952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O5S3/c17-26(21,22)15-9-12(11-25-15)16(20)23-10-14(19)18-7-4-8-24-13-5-2-1-3-6-13/h1-3,5-6,9,11H,4,7-8,10H2,(H,18,19)(H2,17,21,22)