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

Systemtic Name: diethyl 5-[(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-chloro-3-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H25ClN2O7S2 MolecularWeight: 529.0261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O7S2/c1-4-31-21(27)17-13(3)18(22(28)32-5-2)33-20(17)24-19(26)14-8-9-15(23)16(12-14)34(29,30)25-10-6-7-11-25/h8-9,12H,4-7,10-11H2,1-3H3,(H,24,26)