dimethyl 2-[(3-ethylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: dimethyl 2-[(3-ethylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: dimethyl 2-[(3-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(3-ethylsulfonylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(3-ethylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(3-esylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CN(CC3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H22N2O7S2/c1-4-31(26,27)13-7-5-6-12(10-13)17(23)21-18-16(19(24)28-2)14-8-9-22(20(25)29-3)11-15(14)30-18/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,23)