methyl 3-chloranyl-6-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl)C

InChI

InChI=1S/C26H21ClN4O3S/c1-4-31-14(2)19(13-28-31)21-12-18(16-7-5-6-8-20(16)30-21)25(32)29-15-9-10-17-22(11-15)35-24(23(17)27)26(33)34-3/h5-13H,4H2,1-3H3,(H,29,32)