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

Systemtic Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S2/c1-7-26-17(24)14-10(3)15(18(25)27-8-2)29-16(14)21-19(28)20-9-13-11(4)22-23(6)12(13)5/h7-9H2,1-6H3,(H2,20,21,28)