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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C19H14N4O5S MolecularWeight: 410.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC3=NOC(=C3)C4=CC=CS4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)OCC3=NOC(=C3)C4=CC=CS4)C(=O)N

InChI

InChI=1S/C19H14N4O5S/c20-18(25)17-12-4-1-2-5-13(12)19(26)23(21-17)9-16(24)27-10-11-8-14(28-22-11)15-6-3-7-29-15/h1-8H,9-10H2,(H2,20,25)