[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(4-sulfamoylanilino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-1-[(4-sulfamoylphenyl)carbamothioyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(4-sulfamoylphenyl)thiocarbamoyl]pyrrolidine-2-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C15H20N4O5S2 MolecularWeight: 400.4731

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1CCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CNC(=O)COC(=O)[C@@H]1CCCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H20N4O5S2/c1-17-13(20)9-24-14(21)12-3-2-8-19(12)15(25)18-10-4-6-11(7-5-10)26(16,22)23/h4-7,12H,2-3,8-9H2,1H3,(H,17,20)(H,18,25)(H2,16,22,23)/t12-/m0/s1