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

Systemtic Name: ethyl 2-[(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[6-chloro-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[6-chloro-2-(3-pyridinyl)-4-quinolinyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(6-chloro-2-pyridin-3-ylquinoline-4-carbonyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[6-chloro-2-(3-pyridyl)quinoline-4-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H18ClN3O3S MolecularWeight: 451.92532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4

InChI

InChI=1S/C23H18ClN3O3S/c1-3-30-23(29)18-9-13(2)31-22(18)27-21(28)17-11-20(14-5-4-8-25-12-14)26-19-7-6-15(24)10-16(17)19/h4-12H,3H2,1-2H3,(H,27,28)