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

Systemtic Name: ethyl 5-ethyl-2-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-12-11-15(20(26)27-6-3)18(28-12)21-17(24)16-13-9-7-8-10-14(13)19(25)23(5-2)22-16/h7-11H,4-6H2,1-3H3,(H,21,24)