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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-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-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13(2)11-24-20(25)16-7-4-3-6-15(16)19(22-24)21(26)27-12-14-10-17(28-23-14)18-8-5-9-29-18/h3-10,13H,11-12H2,1-2H3