[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H20N2O3S/c1-12(2)21-19(23)13(3)25-20(24)15-11-17(18-9-6-10-26-18)22-16-8-5-4-7-14(15)16/h4-13H,1-3H3,(H,21,23)/t13-/m0/s1