methyl 2-[[8-chloranyl-2-(2-methylphenyl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[8-chloranyl-2-(2-methylphenyl)quinolin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[8-chloro-2-(o-tolyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[8-chloro-2-(2-methylphenyl)-4-quinolinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[8-chloro-2-(2-methylphenyl)quinoline-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[8-chloro-2-(o-tolyl)quinoline-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21ClN2O3S MolecularWeight: 464.96384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=C4C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=CC=C4C)C(=O)OC

InChI

InChI=1S/C25H21ClN2O3S/c1-4-15-12-19(25(30)31-3)24(32-15)28-23(29)18-13-21(16-9-6-5-8-14(16)2)27-22-17(18)10-7-11-20(22)26/h5-13H,4H2,1-3H3,(H,28,29)