tert-butyl 4-[4-[(4-methoxyphenyl)-oxidanyl-thiophen-2-yl-methyl]phenoxy]butanoate

Systemtic Name: tert-butyl 4-[4-[(4-methoxyphenyl)-oxidanyl-thiophen-2-yl-methyl]phenoxy]butanoate Openeye Name: tert-butyl 4-[4-[hydroxy-(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]butanoate CAS Name: 4-[4-[hydroxy-(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[hydroxy-(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]butanoate Traditional Name: 4-[4-[hydroxy-(4-methoxyphenyl)-(2-thienyl)methyl]phenoxy]butyric acid tert-butyl ester Formula: C26H30O5S MolecularWeight: 454.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=CS3)O

Isomeric SMILES

CC(C)(C)OC(=O)CCCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=CS3)O

InChI

InChI=1S/C26H30O5S/c1-25(2,3)31-24(27)8-5-17-30-22-15-11-20(12-16-22)26(28,23-7-6-18-32-23)19-9-13-21(29-4)14-10-19/h6-7,9-16,18,28H,5,8,17H2,1-4H3