tert-butyl 2-[4-[2-(4-cyclohexylbutanoylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[4-[2-(4-cyclohexylbutanoylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-(4-cyclohexylbutanoylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[4-[2-[(4-cyclohexyl-1-oxobutyl)amino]ethyl]phenyl]thio]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(4-cyclohexylbutanoylamino)ethyl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[2-(4-cyclohexylbutanoylamino)ethyl]phenyl]thio]-2-methyl-propionic acid tert-butyl ester Formula: C26H41NO3S MolecularWeight: 447.67364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)SC1=CC=C(C=C1)CCNC(=O)CCCC2CCCCC2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)SC1=CC=C(C=C1)CCNC(=O)CCCC2CCCCC2

InChI

InChI=1S/C26H41NO3S/c1-25(2,3)30-24(29)26(4,5)31-22-16-14-21(15-17-22)18-19-27-23(28)13-9-12-20-10-7-6-8-11-20/h14-17,20H,6-13,18-19H2,1-5H3,(H,27,28)