(4-tert-butyl-2-methyl-phenyl) 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C28H28O3S MolecularWeight: 444.58512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4

InChI

InChI=1S/C28H28O3S/c1-19-16-21(28(2,3)4)14-15-24(19)31-27(29)26-23(22-12-8-9-13-25(22)30-26)18-32-17-20-10-6-5-7-11-20/h5-16H,17-18H2,1-4H3