[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H21NO3S/c1-15-13-20(17(3)30-15)22(27)14-29-25(28)23-16(2)24(18-9-5-4-6-10-18)26-21-12-8-7-11-19(21)23/h4-13H,14H2,1-3H3