dimethyl 3-methyl-5-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(phenylmethyl)pyrrolidin-1-yl]sulfonyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(2-benzylpyrrolidin-1-yl)sulfonyl-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(phenylmethyl)-1-pyrrolidinyl]sulfonyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-benzylpyrrolidin-1-yl)sulfonyl-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-benzylpyrrolidino)sulfonyl-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H23NO6S2 MolecularWeight: 437.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCCC2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H23NO6S2/c1-13-16(18(22)26-2)20(28-17(13)19(23)27-3)29(24,25)21-11-7-10-15(21)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-12H2,1-3H3