methyl 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-butyl]benzoate

Systemtic Name: methyl 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-butyl]benzoate Openeye Name: methyl 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-butyl]benzoate CAS Name: 4-[3-[(4-methoxyphenyl)methylthio]-4-oxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(4-methoxyphenyl)methylsulfanyl]-4-oxobutyl]benzoate Traditional Name: 4-[4-keto-3-(p-anisylthio)butyl]benzoic acid methyl ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)OC)C=O

Isomeric SMILES

COC1=CC=C(C=C1)CSC(CCC2=CC=C(C=C2)C(=O)OC)C=O

InChI

InChI=1S/C20H22O4S/c1-23-18-10-5-16(6-11-18)14-25-19(13-21)12-7-15-3-8-17(9-4-15)20(22)24-2/h3-6,8-11,13,19H,7,12,14H2,1-2H3