[2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-4-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[(3,5-dichloro-4-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C22H15Cl2N3O3S MolecularWeight: 472.3438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Cl

Isomeric SMILES

CC1=C(C(=NC=C1Cl)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)Cl

InChI

InChI=1S/C22H15Cl2N3O3S/c1-12-15(23)10-25-21(20(12)24)27-19(28)11-30-22(29)14-9-17(18-7-4-8-31-18)26-16-6-3-2-5-13(14)16/h2-10H,11H2,1H3,(H,25,27,28)