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

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

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S2/c1-6-23-10-13(12(5)22-23)9-20-19(28)21-16-14(17(24)26-7-2)11(4)15(29-16)18(25)27-8-3/h10H,6-9H2,1-5H3,(H2,20,21,28)