methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1H-pyrazol-5-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=NN3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=NN3

InChI

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