2-(4-methylphenoxy)ethyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid 2-(4-methylphenoxy)ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-16-7-9-19(10-8-16)26-12-13-27-22(25)20(11-14-28-3)23-21(24)18-6-4-5-17(2)15-18/h4-10,15,20H,11-14H2,1-3H3,(H,23,24)/t20-/m0/s1