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

Systemtic Name: diethyl 5-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-ethyl-5-methyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C=N1)C(C)NC(=S)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)C

InChI

InChI=1S/C20H28N4O4S2/c1-7-24-13(6)14(10-21-24)12(5)22-20(29)23-17-15(18(25)27-8-2)11(4)16(30-17)19(26)28-9-3/h10,12H,7-9H2,1-6H3,(H2,22,23,29)