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

Systemtic Name: ethyl 5-[(2-chlorophenyl)carbamoyl]-4-methyl-2-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-[(2-chlorophenyl)carbamoyl]-4-methyl-2-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-[(2-chloroanilino)-oxomethyl]-4-methyl-2-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chlorophenyl)carbamoyl]-4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-[(2-chlorophenyl)carbamoyl]-2-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H23ClN4O5S MolecularWeight: 539.00262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2Cl)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2Cl)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C26H23ClN4O5S/c1-4-36-26(35)21-14(2)22(23(33)28-18-12-8-7-11-17(18)27)37-24(21)29-20(32)13-19-15-9-5-6-10-16(15)25(34)31(3)30-19/h5-12H,4,13H2,1-3H3,(H,28,33)(H,29,32)