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

Systemtic Name: diethyl 3-methyl-5-[(4-methylpyrazol-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-1-pyrazolyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpyrazole-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2C=C(C=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2C=C(C=N2)C

InChI

InChI=1S/C16H19N3O4S2/c1-5-22-14(20)11-10(4)12(15(21)23-6-2)25-13(11)18-16(24)19-8-9(3)7-17-19/h7-8H,5-6H2,1-4H3,(H,18,24)