methyl 4-[4-(4-methylsulfanylphenyl)phenyl]-2,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 4-[4-(4-methylsulfanylphenyl)phenyl]-2,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-[4-(4-methylsulfanylphenyl)phenyl]-2,4-dioxo-butanoate CAS Name: 4-[4-[4-(methylthio)phenyl]phenyl]-2,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methylsulfanylphenyl)phenyl]-2,4-dioxobutanoate Traditional Name: 2,4-diketo-4-[4-[4-(methylthio)phenyl]phenyl]butyric acid methyl ester Formula: C18H16O4S MolecularWeight: 328.38224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H16O4S/c1-22-18(21)17(20)11-16(19)14-5-3-12(4-6-14)13-7-9-15(23-2)10-8-13/h3-10H,11H2,1-2H3