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

Systemtic Name: methyl 3-chloranyl-6-[[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2-(1-ethyl-4-pyrazolyl)-4-quinolinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2-(1-ethylpyrazol-4-yl)quinoline-4-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C25H19ClN4O3S MolecularWeight: 490.96136

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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

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

InChI

InChI=1S/C25H19ClN4O3S/c1-3-30-13-14(12-27-30)20-11-18(16-6-4-5-7-19(16)29-20)24(31)28-15-8-9-17-21(10-15)34-23(22(17)26)25(32)33-2/h4-13H,3H2,1-2H3,(H,28,31)