[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 7-chloranyl-8-methyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 7-chloro-8-methyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 7-chloro-8-methyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 7-chloro-8-methyl-2-(2-thienyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C25H20ClNO3S MolecularWeight: 449.9492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=CS4

InChI

InChI=1S/C25H20ClNO3S/c1-14-6-8-17(9-7-14)24(28)16(3)30-25(29)19-13-21(22-5-4-12-31-22)27-23-15(2)20(26)11-10-18(19)23/h4-13,16H,1-3H3/t16-/m0/s1