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

Systemtic Name: dimethyl 3-methyl-5-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[3-(5-methyl-1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[3-(5-methylpyrazol-1-yl)propylcarbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(5-methylpyrazol-1-yl)propylthiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H22N4O4S2 MolecularWeight: 410.51098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=NN1CCCNC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C17H22N4O4S2/c1-10-6-8-19-21(10)9-5-7-18-17(26)20-14-12(15(22)24-3)11(2)13(27-14)16(23)25-4/h6,8H,5,7,9H2,1-4H3,(H2,18,20,26)