ethyl 5-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[3-(2-imidazol-1-ylethyl)-4-oxidanylidene-phthalazin-1-yl]thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(2-imidazol-1-ylethyl)-4-oxo-phthalazin-1-yl]thiophene-2-carboxylate CAS Name: 5-[3-[2-(1-imidazolyl)ethyl]-4-oxo-1-phthalazinyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(2-imidazol-1-ylethyl)-4-oxophthalazin-1-yl]thiophene-2-carboxylate Traditional Name: 5-[3-(2-imidazol-1-ylethyl)-4-keto-phthalazin-1-yl]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C2=NN(C(=O)C3=CC=CC=C32)CCN4C=CN=C4

InChI

InChI=1S/C20H18N4O3S/c1-2-27-20(26)17-8-7-16(28-17)18-14-5-3-4-6-15(14)19(25)24(22-18)12-11-23-10-9-21-13-23/h3-10,13H,2,11-12H2,1H3