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

Systemtic Name: 2-oxidanylidenepropyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: acetonyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid acetonyl ester Formula: C17H12ClNO3S MolecularWeight: 345.80008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H12ClNO3S/c1-10(20)9-22-17(21)12-8-14(15-6-7-16(18)23-15)19-13-5-3-2-4-11(12)13/h2-8H,9H2,1H3