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

Systemtic Name: tert-butyl N-[1-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-oxidanyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-1-hydroxy-ethyl]butyl]carbamate CAS Name: N-[1-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-hydroxyhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-hydroxyhexan-3-yl]carbamate Traditional Name: N-[1-[2-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-1-hydroxy-ethyl]butyl]carbamic acid tert-butyl ester Formula: C30H36ClNO4S MolecularWeight: 542.12914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C(CC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C30H36ClNO4S/c1-5-10-27(32-29(34)36-30(2,3)4)28(33)17-22-15-16-25(19-26(22)31)37-24-14-9-13-23(18-24)35-20-21-11-7-6-8-12-21/h6-9,11-16,18-19,27-28,33H,5,10,17,20H2,1-4H3,(H,32,34)