2-(4-methylphenoxy)ethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: 2-(4-methylphenoxy)ethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: 2-(4-methylphenoxy)ethyl (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid 2-(4-methylphenoxy)ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4S/c1-16-8-10-18(11-9-16)25-13-14-26-21(24)19(12-15-27-2)22-20(23)17-6-4-3-5-7-17/h3-11,19H,12-15H2,1-2H3,(H,22,23)/t19-/m0/s1