(phenylmethyl) 2-(5-methanoyl-2-methoxy-phenyl)-2-methylsulfanyl-ethanoate

Systemtic Name: (phenylmethyl) 2-(5-methanoyl-2-methoxy-phenyl)-2-methylsulfanyl-ethanoate Openeye Name: benzyl 2-(5-formyl-2-methoxy-phenyl)-2-methylsulfanyl-acetate CAS Name: 2-(5-formyl-2-methoxyphenyl)-2-(methylthio)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-formyl-2-methoxyphenyl)-2-methylsulfanylacetate Traditional Name: 2-(5-formyl-2-methoxy-phenyl)-2-(methylthio)acetic acid benzyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C(C(=O)OCC2=CC=CC=C2)SC

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C(C(=O)OCC2=CC=CC=C2)SC

InChI

InChI=1S/C18H18O4S/c1-21-16-9-8-14(11-19)10-15(16)17(23-2)18(20)22-12-13-6-4-3-5-7-13/h3-11,17H,12H2,1-2H3