tert-butyl N-[1-(3-methylphenyl)-2-oxidanyl-1-sulfanyl-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(3-methylphenyl)-2-oxidanyl-1-sulfanyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[1-hydroxy-2-(m-tolyl)-2-sulfanyl-ethyl]butyl]carbamate CAS Name: N-[2-hydroxy-1-mercapto-1-(3-methylphenyl)hexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-hydroxy-1-(3-methylphenyl)-1-sulfanylhexan-3-yl]carbamate Traditional Name: N-[1-[1-hydroxy-2-mercapto-2-(m-tolyl)ethyl]butyl]carbamic acid tert-butyl ester Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(C1=CC=CC(=C1)C)S)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(C(C1=CC=CC(=C1)C)S)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H29NO3S/c1-6-8-14(19-17(21)22-18(3,4)5)15(20)16(23)13-10-7-9-12(2)11-13/h7,9-11,14-16,20,23H,6,8H2,1-5H3,(H,19,21)