O4-tert-butyl O1-methyl 5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-(phenylcarbonyl)benzene-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-methyl 5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-(phenylcarbonyl)benzene-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-methyl 2-benzoyl-5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-benzene-1,4-dicarboxylate CAS Name: 2-benzoyl-5-[(4-methoxyphenyl)methylthio]-3-methylbenzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-methyl ester IUPAC Name: 4-O-tert-butyl 1-O-methyl 2-benzoyl-5-[(4-methoxyphenyl)methylsulfanyl]-3-methylbenzene-1,4-dicarboxylate Traditional Name: 2-benzoyl-3-methyl-5-(p-anisylthio)benzene-1,4-dicarboxylic acid O4-tert-butyl ester O1-methyl ester Formula: C29H30O6S MolecularWeight: 506.6099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC(=C1C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC)C(=O)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H30O6S/c1-18-24(26(30)20-10-8-7-9-11-20)22(27(31)34-6)16-23(25(18)28(32)35-29(2,3)4)36-17-19-12-14-21(33-5)15-13-19/h7-16H,17H2,1-6H3