(2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (2-anilinothiazol-4-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (2-anilinothiazol-4-yl)methyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-3-19-15(2)21(18-11-7-8-12-20(18)26-19)22(27)28-13-17-14-29-23(25-17)24-16-9-5-4-6-10-16/h4-12,14H,3,13H2,1-2H3,(H,24,25)