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

Systemtic Name: diethyl 2-[(phenylmethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-(benzylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(benzylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-3-27-19(25)17-15-10-11-24(21(26)28-4-2)13-16(15)30-18(17)23-20(29)22-12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,22,23,29)