(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O3S/c1-3-16-13(2)19(15-7-4-5-8-17(15)23-16)21(24)26-12-14-11-25-20(22-14)18-9-6-10-27-18/h4-11H,3,12H2,1-2H3