[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-(p-anisoylamino)butyric acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C21H22FNO5S/c1-27-17-8-6-14(7-9-17)20(25)23-18(10-11-29-2)21(26)28-13-19(24)15-4-3-5-16(22)12-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,23,25)/t18-/m1/s1