[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,4-dimethylphenyl)-4-quinolinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,4-dimethylphenyl)cinchoninic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C25H21N3O4S MolecularWeight: 459.51694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CS4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=C(C=CS4)C(=O)N)C

InChI

InChI=1S/C25H21N3O4S/c1-14-7-8-16(15(2)11-14)21-12-19(17-5-3-4-6-20(17)27-21)25(31)32-13-22(29)28-24-18(23(26)30)9-10-33-24/h3-12H,13H2,1-2H3,(H2,26,30)(H,28,29)