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

Systemtic Name: diethyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(3-pyrrolidinosulfonylbenzoyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H26N2O7S2/c1-4-30-21(26)17-14(3)18(22(27)31-5-2)32-20(17)23-19(25)15-9-8-10-16(13-15)33(28,29)24-11-6-7-12-24/h8-10,13H,4-7,11-12H2,1-3H3,(H,23,25)