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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H13N3O4S/c22-16(8-14-12-4-1-2-5-13(12)17(23)21-20-14)24-9-11-10-25-18(19-11)15-6-3-7-26-15/h1-7,10H,8-9H2,(H,21,23)