2-(4-methylphenoxy)ethyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: 2-(4-methylphenoxy)ethyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: 4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyric acid 2-(4-methylphenoxy)ethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)OCCOC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-17-8-10-19(11-9-17)26-13-14-27-22(25)20(12-15-29-2)23-21(24)16-28-18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,23,24)