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

Systemtic Name: diethyl 2-(ethoxycarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-(ethoxycarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(ethoxycarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(carbethoxythiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C17H23N3O6S2 MolecularWeight: 429.51102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C17H23N3O6S2/c1-4-24-14(21)12-10-7-8-20(17(23)26-6-3)9-11(10)28-13(12)18-15(27)19-16(22)25-5-2/h4-9H2,1-3H3,(H2,18,19,22,27)