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

Systemtic Name: methyl 5-ethyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(pyrazin-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NC=CN=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NC=CN=C2)C(=O)OC

InChI

InChI=1S/C13H14N4O2S2/c1-3-8-6-9(12(18)19-2)11(21-8)17-13(20)16-10-7-14-4-5-15-10/h4-7H,3H2,1-2H3,(H2,15,16,17,20)