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

Systemtic Name: diethyl 5-[3-(4-chloranylpyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[3-(4-chloro-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-chloropyrazol-1-yl)propylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-chloropyrazol-1-yl)propylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H23ClN4O4S2 MolecularWeight: 458.98262

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O4S2/c1-4-26-16(24)13-11(3)14(17(25)27-5-2)29-15(13)22-18(28)20-7-6-8-23-10-12(19)9-21-23/h9-10H,4-8H2,1-3H3,(H2,20,22,28)