tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfanyl-7-phenyl-heptanoate

Systemtic Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfanyl-7-phenyl-heptanoate Openeye Name: tert-butyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfanyl-7-phenyl-heptanoate CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)thio]-7-phenylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfanyl-7-phenylheptanoate Traditional Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]thio]-7-phenyl-enanthic acid tert-butyl ester Formula: C29H40O4S MolecularWeight: 484.6905

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CC(CCCCC1=CC=CC=C1)SC2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C29H40O4S/c1-29(2,3)33-28(30)21-24(17-11-8-14-22-12-6-5-7-13-22)34-25-18-19-26(31-4)27(20-25)32-23-15-9-10-16-23/h5-7,12-13,18-20,23-24H,8-11,14-17,21H2,1-4H3