quinolin-8-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: quinolin-8-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 8-quinolylmethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid 8-quinolylmethyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H19N3O3S/c1-14-19(15(2)28-25-14)13-29-21-18(9-5-11-24-21)22(26)27-12-17-7-3-6-16-8-4-10-23-20(16)17/h3-11H,12-13H2,1-2H3