methyl 4-ethyl-5-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(pyrazin-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=CN=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NC=CN=C2)C

InChI

InChI=1S/C14H16N4O2S2/c1-4-9-8(2)22-12(11(9)13(19)20-3)18-14(21)17-10-7-15-5-6-16-10/h5-7H,4H2,1-3H3,(H2,16,17,18,21)