methyl 5-methylsulfanyl-7-pyridin-3-yl-2,3-dihydro-1-benzothiophene-4-carboxylate

Systemtic Name: methyl 5-methylsulfanyl-7-pyridin-3-yl-2,3-dihydro-1-benzothiophene-4-carboxylate Openeye Name: methyl 5-methylsulfanyl-7-(3-pyridyl)-2,3-dihydrobenzothiophene-4-carboxylate CAS Name: 5-(methylthio)-7-(3-pyridinyl)-2,3-dihydro-1-benzothiophene-4-carboxylic acid methyl ester IUPAC Name: methyl 5-methylsulfanyl-7-pyridin-3-yl-2,3-dihydro-1-benzothiophene-4-carboxylate Traditional Name: 5-(methylthio)-7-(3-pyridyl)-2,3-dihydrobenzothiophene-4-carboxylic acid methyl ester Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CN=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCS2)C3=CN=CC=C3)SC

InChI

InChI=1S/C16H15NO2S2/c1-19-16(18)14-11-5-7-21-15(11)12(8-13(14)20-2)10-4-3-6-17-9-10/h3-4,6,8-9H,5,7H2,1-2H3