(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate

Systemtic Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxidanylidene-1H-pyridin-3-yl)propanoate Openeye Name: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate CAS Name: 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate Traditional Name: 3-(5-cyano-6-keto-2,4-dimethyl-1H-pyridin-3-yl)propionic acid [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NOC(=N2)C3=CSC=C3)C)C#N

Isomeric SMILES

CC1=C(C(=O)NC(=C1CCC(=O)OCC2=NOC(=N2)C3=CSC=C3)C)C#N

InChI

InChI=1S/C18H16N4O4S/c1-10-13(11(2)20-17(24)14(10)7-19)3-4-16(23)25-8-15-21-18(26-22-15)12-5-6-27-9-12/h5-6,9H,3-4,8H2,1-2H3,(H,20,24)