methyl 3-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 3-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 3-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 3-(4-chlorophenyl)-4-[4-(methylthio)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 3-(4-chlorophenyl)-4-keto-4-[4-(methylthio)phenyl]butyric acid methyl ester Formula: C18H17ClO3S MolecularWeight: 348.84378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO3S/c1-22-17(20)11-16(12-3-7-14(19)8-4-12)18(21)13-5-9-15(23-2)10-6-13/h3-10,16H,11H2,1-2H3