(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (2-anilinothiazol-4-yl)methyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H16N4O3S/c25-18(10-17-15-8-4-5-9-16(15)19(26)24-23-17)27-11-14-12-28-20(22-14)21-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,21,22)(H,24,26)