(1-oxidanylidene-1-phenyl-propan-2-yl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C23H16ClNO3S MolecularWeight: 421.89604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClNO3S/c1-14(22(26)15-7-3-2-4-8-15)28-23(27)17-13-19(20-11-12-21(24)29-20)25-18-10-6-5-9-16(17)18/h2-14H,1H3