(phenylmethyl) N-[(2S,3S)-3-oxidanyl-1-phenyl-5-phenylsulfanyl-hept-6-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-3-oxidanyl-1-phenyl-5-phenylsulfanyl-hept-6-en-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-benzyl-2-hydroxy-4-phenylsulfanyl-hex-5-enyl]carbamate CAS Name: N-[(2S,3S)-3-hydroxy-1-phenyl-5-(phenylthio)hept-6-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-3-hydroxy-1-phenyl-5-phenylsulfanylhept-6-en-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-benzyl-2-hydroxy-4-(phenylthio)hex-5-enyl]carbamic acid benzyl ester Formula: C27H29NO3S MolecularWeight: 447.58906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)SC3=CC=CC=C3

Isomeric SMILES

C=CC(C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)SC3=CC=CC=C3

InChI

InChI=1S/C27H29NO3S/c1-2-23(32-24-16-10-5-11-17-24)19-26(29)25(18-21-12-6-3-7-13-21)28-27(30)31-20-22-14-8-4-9-15-22/h2-17,23,25-26,29H,1,18-20H2,(H,28,30)/t23?,25-,26-/m0/s1