tert-butyl 2-[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate

Systemtic Name: tert-butyl 2-[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-[[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]thio]-2-methylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[2-(1-cyclohexylbutylamino)ethyl]phenyl]thio]-2-methyl-propionic acid tert-butyl ester Formula: C26H43NO2S MolecularWeight: 433.69012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCCC1)NCCC2=CC=C(C=C2)SC(C)(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C1CCCCC1)NCCC2=CC=C(C=C2)SC(C)(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H43NO2S/c1-7-11-23(21-12-9-8-10-13-21)27-19-18-20-14-16-22(17-15-20)30-26(5,6)24(28)29-25(2,3)4/h14-17,21,23,27H,7-13,18-19H2,1-6H3