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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [3-(3-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-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-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-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12N4O4S MolecularWeight: 368.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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