ethanol; ethyl 4,5-dimethyl-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethanol; ethyl 4,5-dimethyl-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethanol; ethyl 4,5-dimethyl-2-[[(2S)-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester; ethanol IUPAC Name: ethanol; ethyl 4,5-dimethyl-2-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[(2S)-1-tosylprolyl]amino]thiophene-3-carboxylic acid ethyl ester; ethanol Formula: C23H32N2O6S2 MolecularWeight: 496.63998

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCO.CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O5S2.C2H6O/c1-5-28-21(25)18-14(3)15(4)29-20(18)22-19(24)17-7-6-12-23(17)30(26,27)16-10-8-13(2)9-11-16;1-2-3/h8-11,17H,5-7,12H2,1-4H3,(H,22,24);3H,2H2,1H3/t17-;/m0./s1