methyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)methylsulfanyl]benzoate

Systemtic Name: methyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)methylsulfanyl]benzoate Openeye Name: methyl 2-[(1-oxoisochroman-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-[(1-oxo-3,4-dihydroisochromen-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(1-ketoisochroman-3-yl)methylthio]benzoic acid methyl ester Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SCC2CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC(=O)C1=CC=CC=C1SCC2CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C18H16O4S/c1-21-17(19)15-8-4-5-9-16(15)23-11-13-10-12-6-2-3-7-14(12)18(20)22-13/h2-9,13H,10-11H2,1H3