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

Systemtic Name: phenacyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: phenacyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid phenacyl ester Formula: C22H14ClNO3S MolecularWeight: 407.86946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14ClNO3S/c23-21-11-10-20(28-21)18-12-16(15-8-4-5-9-17(15)24-18)22(26)27-13-19(25)14-6-2-1-3-7-14/h1-12H,13H2