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

Systemtic Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1,3-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1,3-dimethylpyrazol-4-yl)methylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CN(N=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=CN(N=C2C)C

InChI

InChI=1S/C18H24N4O4S2/c1-6-25-16(23)13-10(3)14(17(24)26-7-2)28-15(13)20-18(27)19-8-12-9-22(5)21-11(12)4/h9H,6-8H2,1-5H3,(H2,19,20,27)