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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=CC=CC=C4

InChI

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