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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C20H17N3O4S/c1-2-9-23-19(24)15-7-4-3-6-14(15)17(22-23)20(25)27-12-13-11-26-18(21-13)16-8-5-10-28-16/h3-8,10-11H,2,9,12H2,1H3