[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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