[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C18H18O5S/c1-21-16-9-6-13(10-17(16)22-2)18(20)23-11-15(19)12-4-7-14(24-3)8-5-12/h4-10H,11H2,1-3H3