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

Systemtic Name: tert-butyl 2-[4-[2-(heptanoylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate Openeye Name: tert-butyl 2-[4-[2-(heptanoylamino)ethyl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-methyl-2-[[4-[2-(1-oxoheptylamino)ethyl]phenyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-(heptanoylamino)ethyl]phenyl]sulfanyl-2-methylpropanoate Traditional Name: 2-[[4-[2-(enanthylamino)ethyl]phenyl]thio]-2-methyl-propionic acid tert-butyl ester Formula: C23H37NO3S MolecularWeight: 407.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCCC1=CC=C(C=C1)SC(C)(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCC(=O)NCCC1=CC=C(C=C1)SC(C)(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H37NO3S/c1-7-8-9-10-11-20(25)24-17-16-18-12-14-19(15-13-18)28-23(5,6)21(26)27-22(2,3)4/h12-15H,7-11,16-17H2,1-6H3,(H,24,25)