methyl 2-[oxidanyl(pyridin-3-yl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 2-[oxidanyl(pyridin-3-yl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate Openeye Name: methyl 2-[hydroxy(3-pyridyl)methyl]-4,5-dihydrobenzothiophene-6-carboxylate CAS Name: 2-[hydroxy(3-pyridinyl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[hydroxy(pyridin-3-yl)methyl]-4,5-dihydro-1-benzothiophene-6-carboxylate Traditional Name: 2-[hydroxy(3-pyridyl)methyl]-4,5-dihydrobenzothiophene-6-carboxylic acid methyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CC1)C=C(S2)C(C3=CN=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC2=C(CC1)C=C(S2)C(C3=CN=CC=C3)O

InChI

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