methyl 3-chloranyl-6-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[2-(1-methylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(1-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H17ClN4O3S MolecularWeight: 476.93478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C24H17ClN4O3S/c1-29-12-13(11-26-29)19-10-17(15-5-3-4-6-18(15)28-19)23(30)27-14-7-8-16-20(9-14)33-22(21(16)25)24(31)32-2/h3-12H,1-2H3,(H,27,30)