methyl 2-(4-methylphenyl)-4-methylsulfanyl-bicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylate

Systemtic Name: methyl 2-(4-methylphenyl)-4-methylsulfanyl-bicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylate Openeye Name: methyl 4-methylsulfanyl-2-(p-tolyl)bicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylate CAS Name: 2-(4-methylphenyl)-4-(methylthio)-5-bicyclo[4.2.0]octa-1(6),2,4-trienecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)-4-methylsulfanylbicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylate Traditional Name: 4-(methylthio)-2-(p-tolyl)bicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxylic acid methyl ester Formula: C18H18O2S MolecularWeight: 298.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CC3)C(=O)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C3=C2CC3)C(=O)OC)SC

InChI

InChI=1S/C18H18O2S/c1-11-4-6-12(7-5-11)15-10-16(21-3)17(18(19)20-2)14-9-8-13(14)15/h4-7,10H,8-9H2,1-3H3