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

Systemtic Name: diethyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(3-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(3-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(3-methylpyrazol-1-yl)propylthiocarbamoylamino]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)NCCCN2C=CC(=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCCN2C=CC(=N2)C

InChI

InChI=1S/C19H26N4O4S2/c1-5-26-17(24)14-13(4)15(18(25)27-6-2)29-16(14)21-19(28)20-9-7-10-23-11-8-12(3)22-23/h8,11H,5-7,9-10H2,1-4H3,(H2,20,21,28)