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

Systemtic Name: ethyl 5-ethyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]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)CC2=NN(C(=O)C3=CC=CC=C32)C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C)C(=O)OCC

InChI

InChI=1S/C20H21N3O4S/c1-4-12-10-15(20(26)27-5-2)18(28-12)21-17(24)11-16-13-8-6-7-9-14(13)19(25)23(3)22-16/h6-10H,4-5,11H2,1-3H3,(H,21,24)