(2-morpholin-4-yl-2-oxidanylidene-ethyl) (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-morpholino-2-oxo-ethyl) (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (2-keto-2-morpholino-ethyl) ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC(=O)N2CCOCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)N2CCOCC2

InChI

InChI=1S/C19H26N2O5S/c1-14-4-3-5-15(12-14)18(23)20-16(6-11-27-2)19(24)26-13-17(22)21-7-9-25-10-8-21/h3-5,12,16H,6-11,13H2,1-2H3,(H,20,23)/t16-/m1/s1