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

Systemtic Name: diethyl 5-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

InChI

InChI=1S/C20H28N4O4S2/c1-7-24-13(6)14(12(5)23-24)10-21-20(29)22-17-15(18(25)27-8-2)11(4)16(30-17)19(26)28-9-3/h7-10H2,1-6H3,(H2,21,22,29)