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

Systemtic Name: diethyl 5-[3-(4-chloranyl-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-chloro-5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-chloro-5-methylpyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-chloro-5-methyl-pyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H25ClN4O4S2 MolecularWeight: 473.0092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN4O4S2/c1-5-27-17(25)14-11(3)15(18(26)28-6-2)30-16(14)23-19(29)21-8-7-9-24-12(4)13(20)10-22-24/h10H,5-9H2,1-4H3,(H2,21,23,29)