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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C18H13N3O4S/c1-21-17(22)13-6-3-2-5-12(13)16(19-21)18(23)24-10-11-9-14(25-20-11)15-7-4-8-26-15/h2-9H,10H2,1H3