tert-butyl 3-(4-methoxyphenyl)sulfanyl-4-phenylmethoxy-butanoate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)sulfanyl-4-phenylmethoxy-butanoate Openeye Name: tert-butyl 4-benzyloxy-3-(4-methoxyphenyl)sulfanyl-butanoate CAS Name: 3-[(4-methoxyphenyl)thio]-4-phenylmethoxybutanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)sulfanyl-4-phenylmethoxybutanoate Traditional Name: 4-benzoxy-3-[(4-methoxyphenyl)thio]butyric acid tert-butyl ester Formula: C22H28O4S MolecularWeight: 388.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(COCC1=CC=CC=C1)SC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)CC(COCC1=CC=CC=C1)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H28O4S/c1-22(2,3)26-21(23)14-20(16-25-15-17-8-6-5-7-9-17)27-19-12-10-18(24-4)11-13-19/h5-13,20H,14-16H2,1-4H3