2-phenoxyethyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: 2-phenoxyethyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: 2-phenoxyethyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid 2-phenoxyethyl ester Formula: C22H16ClNO3S MolecularWeight: 409.88534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCCOC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H16ClNO3S/c23-21-11-10-20(28-21)19-14-17(16-8-4-5-9-18(16)24-19)22(25)27-13-12-26-15-6-2-1-3-7-15/h1-11,14H,12-13H2