[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H20N2O3S/c1-16(23(27)25-15-17-8-3-2-4-9-17)29-24(28)19-14-21(22-12-7-13-30-22)26-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,27)/t16-/m1/s1