methyl 2-[oxidanyl(phenyl)methyl]-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 2-[oxidanyl(phenyl)methyl]-1-benzothiophene-5-carboxylate Openeye Name: methyl 2-[hydroxy(phenyl)methyl]benzothiophene-5-carboxylate CAS Name: 2-[hydroxy(phenyl)methyl]-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[hydroxy(phenyl)methyl]-1-benzothiophene-5-carboxylate Traditional Name: 2-[hydroxy(phenyl)methyl]benzothiophene-5-carboxylic acid methyl ester Formula: C17H14O3S MolecularWeight: 298.35626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O3S/c1-20-17(19)12-7-8-14-13(9-12)10-15(21-14)16(18)11-5-3-2-4-6-11/h2-10,16,18H,1H3