ethyl 5-ethyl-4-methyl-2-[2-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-4-methyl-2-[2-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-4-methyl-2-[[2-(1-oxo-4-phenyl-phthalazin-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-4-methyl-2-[[1-oxo-2-(1-oxo-4-phenyl-2-phthalazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-4-methyl-2-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(1-keto-4-phenyl-phthalazin-2-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)OCC)C

Isomeric SMILES

CCC1=C(C(=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C(=O)OCC)C

InChI

InChI=1S/C26H25N3O4S/c1-4-20-16(3)22(26(32)33-5-2)24(34-20)27-21(30)15-29-25(31)19-14-10-9-13-18(19)23(28-29)17-11-7-6-8-12-17/h6-14H,4-5,15H2,1-3H3,(H,27,30)