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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2R)-2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(o-anisoylamino)butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)[C@@H](CCSC)NC(=O)C2=CC=CC=C2OC)F

InChI

InChI=1S/C21H24FNO5S/c1-26-18-7-5-4-6-15(18)20(24)23-17(10-11-29-3)21(25)28-13-14-8-9-19(27-2)16(22)12-14/h4-9,12,17H,10-11,13H2,1-3H3,(H,23,24)/t17-/m1/s1