(2-oxidanylidene-1,2-diphenyl-ethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid desyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H20N2O4S/c1-17-15-20(27-31-17)16-32-24-21(13-8-14-26-24)25(29)30-23(19-11-6-3-7-12-19)22(28)18-9-4-2-5-10-18/h2-15,23H,16H2,1H3