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

Systemtic Name: ethyl 2-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[4-(3-methylbenzothiophen-2-yl)thiazol-2-yl]methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-2-thiazolyl]methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[[4-(3-methylbenzothiophen-2-yl)thiazol-2-yl]methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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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=CC=CC=C5S4)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC(=CS3)C4=C(C5=CC=CC=C5S4)C

InChI

InChI=1S/C25H21N3O3S2/c1-3-31-23(29)12-19-17-9-4-5-10-18(17)25(30)28(27-19)13-22-26-20(14-32-22)24-15(2)16-8-6-7-11-21(16)33-24/h4-11,14H,3,12-13H2,1-2H3