[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-11(19(24)22-12-6-7-12)26-20(25)14-10-16(17-8-9-18(21)27-17)23-15-5-3-2-4-13(14)15/h2-5,8-12H,6-7H2,1H3,(H,22,24)/t11-/m1/s1