diethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-(1,3-benzothiazol-6-ylcarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(1,3-benzothiazole-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C21H21N3O5S2/c1-3-28-20(26)17-13-7-8-24(21(27)29-4-2)10-16(13)31-19(17)23-18(25)12-5-6-14-15(9-12)30-11-22-14/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,23,25)