dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-pyrrolidinosulfonylbenzoyl)amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(=O)OC

InChI

InChI=1S/C20H22N2O7S2/c1-12-15(19(24)28-2)18(30-16(12)20(25)29-3)21-17(23)13-6-8-14(9-7-13)31(26,27)22-10-4-5-11-22/h6-9H,4-5,10-11H2,1-3H3,(H,21,23)