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

Systemtic Name: diethyl 2-(propylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-(propylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[propylamino(sulfanylidene)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(propylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(propylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCNC(=S)NC1=C(C2=C(S1)CN(CC2)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H25N3O4S2/c1-4-8-18-16(25)19-14-13(15(21)23-5-2)11-7-9-20(10-12(11)26-14)17(22)24-6-3/h4-10H2,1-3H3,(H2,18,19,25)