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

Systemtic Name: dimethyl 5-[2-(4-chloranylpyrazol-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-chloro-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-chloropyrazol-1-yl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C15H17ClN4O4S2 MolecularWeight: 416.90288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2C=C(C=N2)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCCN2C=C(C=N2)Cl)C(=O)OC

InChI

InChI=1S/C15H17ClN4O4S2/c1-8-10(13(21)23-2)12(26-11(8)14(22)24-3)19-15(25)17-4-5-20-7-9(16)6-18-20/h6-7H,4-5H2,1-3H3,(H2,17,19,25)