tert-butyl N-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1,3-bis(oxidanyl)pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-1,3-bis(oxidanyl)pentan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-hydroxy-1-(hydroxymethyl)butyl]carbamate CAS Name: N-[3-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-1,3-dihydroxypentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-1,3-dihydroxypentan-2-yl]carbamate Traditional Name: N-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-hydroxy-1-methylol-butyl]carbamic acid tert-butyl ester Formula: C29H34ClNO5S MolecularWeight: 544.10196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(CO)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCC(C1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(C(CO)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C29H34ClNO5S/c1-5-29(34,26(18-32)31-27(33)36-28(2,3)4)24-15-14-23(17-25(24)30)37-22-13-9-12-21(16-22)35-19-20-10-7-6-8-11-20/h6-17,26,32,34H,5,18-19H2,1-4H3,(H,31,33)