ethyl 5-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-(1-ketophthalazin-2-yl)acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C21H17N3O4S/c1-2-28-21(27)18-10-14-9-15(7-8-17(14)29-18)23-19(25)12-24-20(26)16-6-4-3-5-13(16)11-22-24/h3-11H,2,12H2,1H3,(H,23,25)