[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C21H16N4O5S MolecularWeight: 436.44054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S/c1-13-10-19(22-17-5-3-2-4-16(13)17)31-12-20(26)29-11-18-23-24-21(30-18)14-6-8-15(9-7-14)25(27)28/h2-10H,11-12H2,1H3