2-[1-(4-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate

Systemtic Name: 2-[1-(4-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate Openeye Name: 2-[1-(4-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methyl-propanoate CAS Name: 3-(butylthio)-2-methylpropanoic acid 2-[[1-(4-tert-butylphenyl)ethylamino]-oxomethoxy]ethyl ester IUPAC Name: 2-[1-(4-tert-butylphenyl)ethylcarbamoyloxy]ethyl 3-butylsulfanyl-2-methylpropanoate Traditional Name: 3-(butylthio)-2-methyl-propionic acid 2-[1-(4-tert-butylphenyl)ethylcarbamoyloxy]ethyl ester Formula: C23H37NO4S MolecularWeight: 423.60918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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