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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

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