[2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-[4-(3-methoxyphenyl)carbonyloxyphenyl]-2-oxidanylidene-ethyl] 6-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxo-ethyl] 6-chloro-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6-chloro-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[4-[(3-methoxyphenyl)-oxomethoxy]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methoxybenzoyl)oxyphenyl]-2-oxoethyl] 6-chloro-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6-chloro-2-(2-thienyl)cinchoninic acid [2-keto-2-(4-m-anisoyloxyphenyl)ethyl] ester Formula: C30H20ClNO6S MolecularWeight: 558.0009

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C30H20ClNO6S/c1-36-22-5-2-4-19(14-22)29(34)38-21-10-7-18(8-11-21)27(33)17-37-30(35)24-16-26(28-6-3-13-39-28)32-25-12-9-20(31)15-23(24)25/h2-16H,17H2,1H3