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

Systemtic Name: diethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(phenylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S2/c1-3-26-18(24)16-14-10-11-23(20(25)27-4-2)12-15(14)29-17(16)22-19(28)21-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H2,21,22,28)