tert-butyl N-[4-[2-[4-(2-ethoxy-3-sulfanyl-propyl)phenoxy]ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[4-(2-ethoxy-3-sulfanyl-propyl)phenoxy]ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[4-(2-ethoxy-3-sulfanyl-propyl)phenoxy]ethyl]phenyl]carbamate CAS Name: N-[4-[2-[4-(2-ethoxy-3-mercaptopropyl)phenoxy]ethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[4-(2-ethoxy-3-sulfanylpropyl)phenoxy]ethyl]phenyl]carbamate Traditional Name: N-[4-[2-[4-(2-ethoxy-3-mercapto-propyl)phenoxy]ethyl]phenyl]carbamic acid tert-butyl ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=O)OC(C)(C)C)CS

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)NC(=O)OC(C)(C)C)CS

InChI

InChI=1S/C24H33NO4S/c1-5-27-22(17-30)16-19-8-12-21(13-9-19)28-15-14-18-6-10-20(11-7-18)25-23(26)29-24(2,3)4/h6-13,22,30H,5,14-17H2,1-4H3,(H,25,26)