methyl 2-[(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(6-bromanyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[6-bromo-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(6-bromo-2-pyridin-3-ylquinoline-4-carbonyl)amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[6-bromo-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C23H18BrN3O3S/c1-3-15-10-18(23(29)30-2)22(31-15)27-21(28)17-11-20(13-5-4-8-25-12-13)26-19-7-6-14(24)9-16(17)19/h4-12H,3H2,1-2H3,(H,27,28)