[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C20H24N2O7S2 MolecularWeight: 468.54376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O7S2/c1-12-17(20(25)28-3)13(2)21-18(12)15(23)11-29-19(24)14-6-8-22(9-7-14)31(26,27)16-5-4-10-30-16/h4-5,10,14,21H,6-9,11H2,1-3H3