[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C24H29NO3S MolecularWeight: 411.55696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H29NO3S/c1-17-10-9-15-21(18(17)2)25-22(26)16-28-24(27)23(19-11-5-3-6-12-19)29-20-13-7-4-8-14-20/h3-8,11-14,17-18,21,23H,9-10,15-16H2,1-2H3,(H,25,26)