(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-cyano-4-methyl-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)thio]acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-cyano-4-methyl-6-oxo-1H-pyridin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-keto-4-methyl-1H-pyridin-2-yl)thio]acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)NC(=C1C#N)SCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O4S/c1-11-7-14(23)20-18(13(11)8-19)27-10-16(24)25-9-15-21-22-17(26-15)12-5-3-2-4-6-12/h2-7H,9-10H2,1H3,(H,20,23)