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

Systemtic Name: diethyl 5-[2-(4-bromanylpyrazol-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(4-bromo-1-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(4-bromopyrazol-1-yl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-bromopyrazol-1-yl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H21BrN4O4S2 MolecularWeight: 489.40704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCN2C=C(C=N2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCN2C=C(C=N2)Br

InChI

InChI=1S/C17H21BrN4O4S2/c1-4-25-15(23)12-10(3)13(16(24)26-5-2)28-14(12)21-17(27)19-6-7-22-9-11(18)8-20-22/h8-9H,4-7H2,1-3H3,(H2,19,21,27)