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

Systemtic Name: methyl 2-[(5-bromanylpyridin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(5-bromo-2-pyridyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridin-2-yl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-bromo-2-pyridyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H14BrN3O2S2 MolecularWeight: 412.32456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O2S2/c1-21-14(20)12-9-3-2-4-10(9)23-13(12)19-15(22)18-11-6-5-8(16)7-17-11/h5-7H,2-4H2,1H3,(H2,17,18,19,22)