ethyl 3-(4-methylphenyl)-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-(4-methylphenyl)-4-phenylsulfanyl-butanoate Openeye Name: ethyl 4-phenylsulfanyl-3-(p-tolyl)butanoate CAS Name: 3-(4-methylphenyl)-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-4-phenylsulfanylbutanoate Traditional Name: 4-(phenylthio)-3-(p-tolyl)butyric acid ethyl ester Formula: C19H22O2S MolecularWeight: 314.44178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSC1=CC=CC=C1)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CC(CSC1=CC=CC=C1)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H22O2S/c1-3-21-19(20)13-17(16-11-9-15(2)10-12-16)14-22-18-7-5-4-6-8-18/h4-12,17H,3,13-14H2,1-2H3