methyl 3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2S(=O)(=O)C3=C(SC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2CCCN2S(=O)(=O)C3=C(SC=C3)C(=O)OC)OC

InChI

InChI=1S/C18H21NO6S2/c1-23-12-6-7-13(15(11-12)24-2)14-5-4-9-19(14)27(21,22)16-8-10-26-17(16)18(20)25-3/h6-8,10-11,14H,4-5,9H2,1-3H3/t14-/m0/s1