(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCO

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCO

InChI

InChI=1S/C21H17N3O4S/c25-11-10-24-20(26)17-9-5-4-8-16(17)18(23-24)21(27)28-12-15-13-29-19(22-15)14-6-2-1-3-7-14/h1-9,13,25H,10-12H2