(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H14N4O4S MolecularWeight: 382.39316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

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