tert-butyl N-[(Z,2S)-4-fluoranyl-3-phenethylsulfanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(Z,2S)-4-fluoranyl-3-phenethylsulfanyl-1-phenyl-4-(phenylsulfonyl)but-3-en-2-yl]carbamate Openeye Name: tert-butyl N-[(Z,1S)-3-(benzenesulfonyl)-1-benzyl-3-fluoro-2-phenethylsulfanyl-allyl]carbamate CAS Name: N-[(Z,2S)-4-(benzenesulfonyl)-4-fluoro-3-(phenethylthio)-1-phenylbut-3-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(Z,2S)-4-(benzenesulfonyl)-4-fluoro-3-phenethylsulfanyl-1-phenylbut-3-en-2-yl]carbamate Traditional Name: N-[(Z,1S)-1-benzyl-3-besyl-3-fluoro-2-(phenethylthio)allyl]carbamic acid tert-butyl ester Formula: C29H32FNO4S2 MolecularWeight: 541.697083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=C(F)S(=O)(=O)C2=CC=CC=C2)SCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)/C(=C(\F)/S(=O)(=O)C2=CC=CC=C2)/SCCC3=CC=CC=C3

InChI

InChI=1S/C29H32FNO4S2/c1-29(2,3)35-28(32)31-25(21-23-15-9-5-10-16-23)26(36-20-19-22-13-7-4-8-14-22)27(30)37(33,34)24-17-11-6-12-18-24/h4-18,25H,19-21H2,1-3H3,(H,31,32)/b27-26-/t25-/m0/s1