[(1S)-2-oxidanylidenecyclohexyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H16ClNO3S MolecularWeight: 385.86394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H16ClNO3S/c21-19-10-9-18(26-19)15-11-13(12-5-1-2-6-14(12)22-15)20(24)25-17-8-4-3-7-16(17)23/h1-2,5-6,9-11,17H,3-4,7-8H2/t17-/m0/s1