(2-chloranyl-6-fluoranyl-phenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H21ClFNO3S MolecularWeight: 409.902043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C20H21ClFNO3S/c1-13-5-3-6-14(11-13)19(24)23-18(9-10-27-2)20(25)26-12-15-16(21)7-4-8-17(15)22/h3-8,11,18H,9-10,12H2,1-2H3,(H,23,24)/t18-/m1/s1