methyl 2-[oxidanyl(pyridin-3-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-[oxidanyl(pyridin-3-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-[hydroxy(3-pyridyl)methyl]-6,7-dihydrobenzothiophene-5-carboxylate CAS Name: 2-[hydroxy(3-pyridinyl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[hydroxy(pyridin-3-yl)methyl]-6,7-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 2-[hydroxy(3-pyridyl)methyl]-6,7-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)SC(=C2)C(C3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)SC(=C2)C(C3=CN=CC=C3)O

InChI

InChI=1S/C16H15NO3S/c1-20-16(19)10-4-5-13-12(7-10)8-14(21-13)15(18)11-3-2-6-17-9-11/h2-3,6-9,15,18H,4-5H2,1H3