[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C22H14ClN3O3S2 MolecularWeight: 467.94786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H14ClN3O3S2/c1-12-11-30-21(25-12)15(9-24)18(27)10-29-22(28)14-8-17(19-6-7-20(23)31-19)26-16-5-3-2-4-13(14)16/h2-8,11,15H,10H2,1H3/t15-/m1/s1