2-[1-(3-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate

Systemtic Name: 2-[1-(3-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate Openeye Name: 2-[1-(3-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate CAS Name: 3-(butylthio)-2-methylpropanoic acid 2-[[1-(3-tert-butylphenyl)ethylamino]-oxomethoxy]ethyl ester IUPAC Name: 2-[1-(3-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methylpropanoate Traditional Name: 3-(butylthio)-2-methyl-propionic acid 2-[1-(3-tert-butylphenyl)ethylcarbamoyloxy]ethyl ester Formula: C23H37NO4S MolecularWeight: 423.60918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C)C(=O)OCCOC(=O)NC(C)C1=CC(=CC=C1)C(C)(C)C

Isomeric SMILES

CCCCSCC(C)C(=O)OCCOC(=O)NC(C)C1=CC(=CC=C1)C(C)(C)C

InChI

InChI=1S/C23H37NO4S/c1-7-8-14-29-16-17(2)21(25)27-12-13-28-22(26)24-18(3)19-10-9-11-20(15-19)23(4,5)6/h9-11,15,17-18H,7-8,12-14,16H2,1-6H3,(H,24,26)