diethyl 5-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(CN2C=CC=N2)C(C)(C)C

InChI

InChI=1S/C21H30N4O4S2/c1-7-28-18(26)15-13(3)16(19(27)29-8-2)31-17(15)24-20(30)23-14(21(4,5)6)12-25-11-9-10-22-25/h9-11,14H,7-8,12H2,1-6H3,(H2,23,24,30)