[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-methoxy-2-oxidanyl-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-hydroxy-3-methoxy-benzoate CAS Name: 2-hydroxy-3-methoxybenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate Traditional Name: 2-hydroxy-3-methoxy-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H16O5S/c1-21-15-5-3-4-13(16(15)19)17(20)22-10-14(18)11-6-8-12(23-2)9-7-11/h3-9,19H,10H2,1-2H3