(2-acetamido-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC(=O)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

InChI=1S/C18H18N4O4S/c1-3-8-22-16(24)14-7-5-4-6-13(14)15(21-22)17(25)26-9-12-10-27-18(20-12)19-11(2)23/h4-7,10H,3,8-9H2,1-2H3,(H,19,20,23)