tert-butyl N-[1-(2-chlorophenyl)-2-methyl-1-oxidanyl-4-(3-phenylmethoxyphenyl)sulfanyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-chlorophenyl)-2-methyl-1-oxidanyl-4-(3-phenylmethoxyphenyl)sulfanyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-[(2-chlorophenyl)-hydroxy-methyl]-1-methyl-propyl]carbamate CAS Name: N-[1-(2-chlorophenyl)-1-hydroxy-2-methyl-4-[(3-phenylmethoxyphenyl)thio]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-chlorophenyl)-1-hydroxy-2-methyl-4-(3-phenylmethoxyphenyl)sulfanylbutan-2-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-[(2-chlorophenyl)-hydroxy-methyl]-1-methyl-propyl]carbamic acid tert-butyl ester Formula: C29H34ClNO4S MolecularWeight: 528.10256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CCSC1=CC=CC(=C1)OCC2=CC=CC=C2)C(C3=CC=CC=C3Cl)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(CCSC1=CC=CC(=C1)OCC2=CC=CC=C2)C(C3=CC=CC=C3Cl)O

InChI

InChI=1S/C29H34ClNO4S/c1-28(2,3)35-27(33)31-29(4,26(32)24-15-8-9-16-25(24)30)17-18-36-23-14-10-13-22(19-23)34-20-21-11-6-5-7-12-21/h5-16,19,26,32H,17-18,20H2,1-4H3,(H,31,33)