methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(pyrazin-2-ylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(pyrazin-2-ylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C14H14N4O2S2 MolecularWeight: 334.41656

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NC=CN=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=NC=CN=C3

InChI

InChI=1S/C14H14N4O2S2/c1-20-13(19)11-8-3-2-4-9(8)22-12(11)18-14(21)17-10-7-15-5-6-16-10/h5-7H,2-4H2,1H3,(H2,16,17,18,21)