[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 5-sulfamoylthiophene-3-carboxylate CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate Traditional Name: 5-sulfamoylthiophene-3-carboxylic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C16H18N2O5S3 MolecularWeight: 414.51952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N

InChI

InChI=1S/C16H18N2O5S3/c1-11-2-4-13(5-3-11)24-7-6-18-14(19)9-23-16(20)12-8-15(25-10-12)26(17,21)22/h2-5,8,10H,6-7,9H2,1H3,(H,18,19)(H2,17,21,22)