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

Systemtic Name: diethyl 3-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S2/c1-5-24-15(22)12-10(3)13(16(23)25-6-2)27-14(12)20-17(26)18-7-11-8-19-21(4)9-11/h8-9H,5-7H2,1-4H3,(H2,18,20,26)