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

Systemtic Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1,3-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1,3-dimethylpyrazol-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1,3-dimethylpyrazol-4-yl)thiocarbamoylamino]-3-methyl-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)NC2=CN(N=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CN(N=C2C)C

InChI

InChI=1S/C17H22N4O4S2/c1-6-24-15(22)12-9(3)13(16(23)25-7-2)27-14(12)19-17(26)18-11-8-21(5)20-10(11)4/h8H,6-7H2,1-5H3,(H2,18,19,26)