tert-butyl N-[6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-dimethoxyphosphoryl-3-methyl-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-dimethoxyphosphoryl-3-methyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1-(2-dimethoxyphosphorylethyl)-1-methyl-butyl]carbamate CAS Name: N-[6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1-dimethoxyphosphoryl-3-methylhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-dimethoxyphosphoryl-3-methylhexan-3-yl]carbamate Traditional Name: N-[4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-(2-dimethoxyphosphorylethyl)-1-methyl-butyl]carbamic acid tert-butyl ester Formula: C33H43ClNO6PS MolecularWeight: 648.189381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C)(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)CCP(=O)(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(C)(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)CCP(=O)(OC)OC

InChI

InChI=1S/C33H43ClNO6PS/c1-32(2,3)41-31(36)35-33(4,20-21-42(37,38-5)39-6)19-11-14-26-17-18-29(23-30(26)34)43-28-16-10-15-27(22-28)40-24-25-12-8-7-9-13-25/h7-10,12-13,15-18,22-23H,11,14,19-21,24H2,1-6H3,(H,35,36)