methyl 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(3-oxidanylidene-1H-2-benzofuran-1-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(3-oxo-1H-isobenzofuran-1-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-oxo-1H-isobenzofuran-1-yl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-oxo-1H-2-benzofuran-1-yl)methylsulfanyl]benzoate Traditional Name: 2-(phthalidylmethylthio)benzoic acid methyl ester Formula: C17H14O4S MolecularWeight: 314.35566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C17H14O4S/c1-20-16(18)13-8-4-5-9-15(13)22-10-14-11-6-2-3-7-12(11)17(19)21-14/h2-9,14H,10H2,1H3