1-[3-tert-butyl-2-(3-butylsulfanyl-2-methyl-propanoyl)oxy-phenyl]ethyl-ethyl-carbamic acid

Systemtic Name: 1-[3-tert-butyl-2-(3-butylsulfanyl-2-methyl-propanoyl)oxy-phenyl]ethyl-ethyl-carbamic acid Openeye Name: 1-[3-tert-butyl-2-(3-butylsulfanyl-2-methyl-propanoyl)oxy-phenyl]ethyl-ethyl-carbamic acid CAS Name: 1-[3-tert-butyl-2-[3-(butylthio)-2-methyl-1-oxopropoxy]phenyl]ethyl-ethylcarbamic acid IUPAC Name: 1-[3-tert-butyl-2-(3-butylsulfanyl-2-methylpropanoyl)oxyphenyl]ethyl-ethylcarbamic acid Traditional Name: 1-[3-tert-butyl-2-[3-(butylthio)-2-methyl-propanoyl]oxy-phenyl]ethyl-ethyl-carbamic acid Formula: C23H37NO4S MolecularWeight: 423.60918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C)C(=O)OC1=C(C=CC=C1C(C)(C)C)C(C)N(CC)C(=O)O

Isomeric SMILES

CCCCSCC(C)C(=O)OC1=C(C=CC=C1C(C)(C)C)C(C)N(CC)C(=O)O

InChI

InChI=1S/C23H37NO4S/c1-8-10-14-29-15-16(3)21(25)28-20-18(17(4)24(9-2)22(26)27)12-11-13-19(20)23(5,6)7/h11-13,16-17H,8-10,14-15H2,1-7H3,(H,26,27)