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

Systemtic Name: methyl 5-ethyl-2-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[1-(1-ethyl-5-methyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[1-(1-ethyl-5-methylpyrazol-4-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[1-(1-ethyl-5-methyl-pyrazol-4-yl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H24N4O2S2 MolecularWeight: 380.52806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(C)C2=C(N(N=C2)CC)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(C)C2=C(N(N=C2)CC)C)C(=O)OC

InChI

InChI=1S/C17H24N4O2S2/c1-6-12-8-13(16(22)23-5)15(25-12)20-17(24)19-10(3)14-9-18-21(7-2)11(14)4/h8-10H,6-7H2,1-5H3,(H2,19,20,24)