ethyl 2-[3-[[4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-(5-chloro-3-methyl-benzothiophen-2-yl)thiazol-2-yl]methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[[4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-thiazolyl]methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-[[4-(5-chloro-3-methyl-benzothiophen-2-yl)thiazol-2-yl]methyl]-4-keto-phthalazin-1-yl]acetic acid ethyl ester Formula: C25H20ClN3O3S2 MolecularWeight: 510.0276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=C(C5=C(S4)C=CC(=C5)Cl)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=C(C5=C(S4)C=CC(=C5)Cl)C

InChI

InChI=1S/C25H20ClN3O3S2/c1-3-32-23(30)11-19-16-6-4-5-7-17(16)25(31)29(28-19)12-22-27-20(13-33-22)24-14(2)18-10-15(26)8-9-21(18)34-24/h4-10,13H,3,11-12H2,1-2H3