[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C=CC2=CC=C(C=C2)SC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C=CC2=CC=C(C=C2)SC)C)C

InChI

InChI=1S/C21H22O3S/c1-14-11-16(3)19(12-15(14)2)20(22)13-24-21(23)10-7-17-5-8-18(25-4)9-6-17/h5-12H,13H2,1-4H3