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

Systemtic Name: ethyl 5-ethyl-2-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

InChI

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