ethyl 6-methyl-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H23N3O4S/c1-3-29-22(28)19-16-9-8-13(2)10-17(16)30-20(19)24-18(26)12-25-21(27)15-7-5-4-6-14(15)11-23-25/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,24,26)