[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-(4-ethylphenyl)thiazol-4-yl]methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-(4-ethylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-ethylphenyl)-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-(4-ethylphenyl)thiazol-4-yl]methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H19N3O3S/c1-2-14-7-9-15(10-8-14)22-23-16(13-29-22)12-28-20(26)11-19-17-5-3-4-6-18(17)21(27)25-24-19/h3-10,13H,2,11-12H2,1H3,(H,25,27)