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

Systemtic Name: ethyl 5-(4-methoxyphenyl)-3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-methoxyphenyl)-3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-methoxyphenyl)-3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-methoxyphenyl)-3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C25H23N3O5S/c1-4-33-25(31)23-20(13-21(34-23)15-9-11-16(32-3)12-10-15)26-22(29)14-19-17-7-5-6-8-18(17)24(30)28(2)27-19/h5-13H,4,14H2,1-3H3,(H,26,29)