2-(4-fluoranylphenoxy)ethyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl (2R)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-(4-fluorophenoxy)ethyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl (2R)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(m-toluoylamino)butyric acid 2-(4-fluorophenoxy)ethyl 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)OCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@H](CCSC)C(=O)OCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C21H24FNO4S/c1-15-4-3-5-16(14-15)20(24)23-19(10-13-28-2)21(25)27-12-11-26-18-8-6-17(22)7-9-18/h3-9,14,19H,10-13H2,1-2H3,(H,23,24)/t19-/m1/s1