methyl 3-tert-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylcarbonyl)benzoate

Systemtic Name: methyl 3-tert-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-2-(phenylcarbonyl)benzoate Openeye Name: methyl 2-benzoyl-3-tert-butyl-5-[(4-methoxyphenyl)methylsulfanyl]benzoate CAS Name: 2-benzoyl-3-tert-butyl-5-[(4-methoxyphenyl)methylthio]benzoic acid methyl ester IUPAC Name: methyl 2-benzoyl-3-tert-butyl-5-[(4-methoxyphenyl)methylsulfanyl]benzoate Traditional Name: 2-benzoyl-3-tert-butyl-5-(p-anisylthio)benzoic acid methyl ester Formula: C27H28O4S MolecularWeight: 448.57382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)SCC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)SCC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H28O4S/c1-27(2,3)23-16-21(32-17-18-11-13-20(30-4)14-12-18)15-22(26(29)31-5)24(23)25(28)19-9-7-6-8-10-19/h6-16H,17H2,1-5H3