[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CN(C)C(=O)[C@H](C1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H20N2O3S/c1-26(2)23(27)22(16-9-4-3-5-10-16)29-24(28)18-15-20(21-13-8-14-30-21)25-19-12-7-6-11-17(18)19/h3-15,22H,1-2H3/t22-/m0/s1