diethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(2-ethoxy-2-oxo-ethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[[(2-ethoxy-2-oxoethyl)amino]-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(2-ethoxy-2-oxoethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(2-ethoxy-2-keto-ethyl)thiocarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C18H25N3O6S2 MolecularWeight: 443.5376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S2/c1-4-25-13(22)9-19-17(28)20-15-14(16(23)26-5-2)11-7-8-21(10-12(11)29-15)18(24)27-6-3/h4-10H2,1-3H3,(H2,19,20,28)