2-(phenylcarbonyloxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-benzoyloxyethyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid 2-benzoyloxyethyl ester IUPAC Name: 2-benzoyloxyethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid 2-benzoyloxyethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-14-18(15(2)28-23-14)13-29-19-17(9-6-10-22-19)21(25)27-12-11-26-20(24)16-7-4-3-5-8-16/h3-10H,11-13H2,1-2H3