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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)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-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C17H12N4O4S/c22-15(8-12-10-4-1-2-5-11(10)17(23)20-19-12)24-9-14-18-16(21-25-14)13-6-3-7-26-13/h1-7H,8-9H2,(H,20,23)