methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranylpyridin-3-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-3-pyridyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloropyridin-3-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-3-pyridyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H14ClN3O2S2 MolecularWeight: 367.87356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=C(N=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C15H14ClN3O2S2/c1-21-14(20)11-8-4-2-6-10(8)23-13(11)19-15(22)18-9-5-3-7-17-12(9)16/h3,5,7H,2,4,6H2,1H3,(H2,18,19,22)