ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 5-methyl-4-(4-methylphenyl)-2-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylphenyl)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C25H23N3O4S/c1-4-32-25(31)22-21(17-11-9-15(2)10-12-17)16(3)33-23(22)27-20(29)14-28-24(30)19-8-6-5-7-18(19)13-26-28/h5-13H,4,14H2,1-3H3,(H,27,29)