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

Systemtic Name: tert-butyl N-[6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1-diethoxyphosphoryl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1-(2-diethoxyphosphorylethyl)butyl]carbamate CAS Name: N-[6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1-diethoxyphosphorylhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1-diethoxyphosphorylhexan-3-yl]carbamate Traditional Name: N-[4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-(2-diethoxyphosphorylethyl)butyl]carbamic acid tert-butyl ester Formula: C34H45ClNO6PS MolecularWeight: 662.215961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(CCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C34H45ClNO6PS/c1-6-40-43(38,41-7-2)22-21-28(36-33(37)42-34(3,4)5)16-11-15-27-19-20-31(24-32(27)35)44-30-18-12-17-29(23-30)39-25-26-13-9-8-10-14-26/h8-10,12-14,17-20,23-24,28H,6-7,11,15-16,21-22,25H2,1-5H3,(H,36,37)