ethyl N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanyl-cyclohexyl]carbamate

Systemtic Name: ethyl N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanyl-cyclohexyl]carbamate Openeye Name: ethyl N-[(1R,2R,4S)-4-benzyloxy-2-phenylsulfanyl-cyclohexyl]carbamate CAS Name: N-[(1R,2R,4S)-4-phenylmethoxy-2-(phenylthio)cyclohexyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[(1R,2R,4S)-4-phenylmethoxy-2-phenylsulfanylcyclohexyl]carbamate Traditional Name: N-[(1R,2R,4S)-4-benzoxy-2-(phenylthio)cyclohexyl]carbamic acid ethyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1CCC(CC1SC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N[C@@H]1CC[C@@H](C[C@H]1SC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO3S/c1-2-25-22(24)23-20-14-13-18(26-16-17-9-5-3-6-10-17)15-21(20)27-19-11-7-4-8-12-19/h3-12,18,20-21H,2,13-16H2,1H3,(H,23,24)/t18-,20+,21+/m0/s1