[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H16O4S MolecularWeight: 316.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC)O

InChI

InChI=1S/C17H16O4S/c1-11-3-8-14(15(18)9-11)17(20)21-10-16(19)12-4-6-13(22-2)7-5-12/h3-9,18H,10H2,1-2H3