[2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylmethoxyphenyl)ethyl] 8-chloranyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [2-(4-benzyloxyphenyl)-2-oxo-ethyl] 8-chloro-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 8-chloro-2-thiophen-2-yl-4-quinolinecarboxylic acid [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyphenyl)ethyl] 8-chloro-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 8-chloro-2-(2-thienyl)cinchoninic acid [2-(4-benzoxyphenyl)-2-keto-ethyl] ester Formula: C29H20ClNO4S MolecularWeight: 513.9914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)COC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=CS5

InChI

InChI=1S/C29H20ClNO4S/c30-24-9-4-8-22-23(16-25(31-28(22)24)27-10-5-15-36-27)29(33)35-18-26(32)20-11-13-21(14-12-20)34-17-19-6-2-1-3-7-19/h1-16H,17-18H2