O6-ethyl O3-methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: O6-ethyl O3-methyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: O6-ethyl O3-methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester IUPAC Name: 6-O-ethyl 3-O-methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid O6-ethyl ester O3-methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O7S/c1-3-28-21(26)23-7-6-13-16(11-23)31-19(17(13)20(25)27-2)22-18(24)12-4-5-14-15(10-12)30-9-8-29-14/h4-5,10H,3,6-9,11H2,1-2H3,(H,22,24)