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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)F

InChI

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