methyl 2-[[2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[(4-ethanoyl-3-methyl-phenoxy)methyl]morpholin-4-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-[(4-acetyl-3-methylphenoxy)methyl]-4-morpholinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-acetyl-3-methylphenoxy)methyl]morpholine-4-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(4-acetyl-3-methyl-phenoxy)methyl]morpholine-4-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C21H30N2O6S MolecularWeight: 438.5377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=O)NC(CCSC)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2CN(CCO2)C(=O)NC(CCSC)C(=O)OC)C(=O)C

InChI

InChI=1S/C21H30N2O6S/c1-14-11-16(5-6-18(14)15(2)24)29-13-17-12-23(8-9-28-17)21(26)22-19(7-10-30-4)20(25)27-3/h5-6,11,17,19H,7-10,12-13H2,1-4H3,(H,22,26)