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

Systemtic Name: [(E)-3-phenylprop-2-enyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: [(E)-cinnamyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinic acid [(E)-cinnamyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OCC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)OC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-15-19(16(2)26-23-15)14-27-20-18(11-6-12-22-20)21(24)25-13-7-10-17-8-4-3-5-9-17/h3-12H,13-14H2,1-2H3/b10-7+