[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-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-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C28H19N3O3S MolecularWeight: 477.53376

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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=CC5=CC=CC=C54

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H19N3O3S/c1-17-16-35-27(30-17)23(14-29)26(32)15-34-28(33)22-13-25(31-24-12-5-4-10-21(22)24)20-11-6-8-18-7-2-3-9-19(18)20/h2-13,16,23H,15H2,1H3/t23-/m1/s1