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

Systemtic Name: methyl 2-(pyridin-4-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(4-pyridylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(pyridin-4-ylmethylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(pyridin-4-ylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(4-pyridylmethylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O2S2 MolecularWeight: 347.45508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NCC3=CC=NC=C3

InChI

InChI=1S/C16H17N3O2S2/c1-21-15(20)13-11-3-2-4-12(11)23-14(13)19-16(22)18-9-10-5-7-17-8-6-10/h5-8H,2-4,9H2,1H3,(H2,18,19,22)