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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-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:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC(=O)C

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CSC(=N3)NC(=O)C

InChI

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