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

Systemtic Name: 3-cyanopropyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 3-cyanopropyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid 3-cyanopropyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCCC#N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCCCC#N

InChI

InChI=1S/C16H17N3O3S/c1-11-14(12(2)22-19-11)10-23-15-13(6-5-8-18-15)16(20)21-9-4-3-7-17/h5-6,8H,3-4,9-10H2,1-2H3