(3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=CC(=C(C=C2)OC)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C21H24FNO4S/c1-14-5-4-6-16(11-14)20(24)23-18(9-10-28-3)21(25)27-13-15-7-8-19(26-2)17(22)12-15/h4-8,11-12,18H,9-10,13H2,1-3H3,(H,23,24)/t18-/m1/s1