diethyl 3-methyl-5-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pyridin-2-ylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(2-pyridinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pyridin-2-ylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-pyridyl)piperazine-1-carbothioyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H26N4O4S2 MolecularWeight: 462.58554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H26N4O4S2/c1-4-28-19(26)16-14(3)17(20(27)29-5-2)31-18(16)23-21(30)25-12-10-24(11-13-25)15-8-6-7-9-22-15/h6-9H,4-5,10-13H2,1-3H3,(H,23,30)