[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

Isomeric SMILES

C[C@@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)SC)OC

InChI

InChI=1S/C21H25NO4S/c1-15(9-10-16-7-5-4-6-8-16)22-20(23)14-26-21(24)18-12-11-17(27-3)13-19(18)25-2/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,23)/t15-/m0/s1