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

Systemtic Name: diethyl 5-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1,5-dimethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1,5-dimethylpyrazol-3-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=NN(C(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=NN(C(=C2)C)C

InChI

InChI=1S/C18H24N4O4S2/c1-6-25-16(23)13-11(4)14(17(24)26-7-2)28-15(13)20-18(27)19-9-12-8-10(3)22(5)21-12/h8H,6-7,9H2,1-5H3,(H2,19,20,27)