[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)COC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C19H22N2O5S2/c1-13-6-5-7-15(14(13)2)20-17(22)12-26-19(23)18-16(8-11-27-18)28(24,25)21-9-3-4-10-21/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,20,22)