(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H11N3O4S MolecularWeight: 353.35194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H11N3O4S/c21-16-12-5-2-1-4-11(12)15(18-19-16)17(22)23-9-10-8-13(24-20-10)14-6-3-7-25-14/h1-8H,9H2,(H,19,21)