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

Systemtic Name: dimethyl 2-[(2-methylsulfonylphenyl)carbonylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: dimethyl 2-[(2-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-methylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(2-mesylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid dimethyl ester Formula: C19H20N2O7S2 MolecularWeight: 452.5013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)C(=O)OC)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H20N2O7S2/c1-27-18(23)15-11-8-9-21(19(24)28-2)10-13(11)29-17(15)20-16(22)12-6-4-5-7-14(12)30(3,25)26/h4-7H,8-10H2,1-3H3,(H,20,22)