ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate CAS Name: 3-[[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate Traditional Name: 3-[[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]amino]benzoic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=NOC(=C3)C

InChI

InChI=1S/C20H19N3O4S/c1-3-26-20(25)14-6-4-7-15(11-14)22-18(24)17-8-5-9-21-19(17)28-12-16-10-13(2)27-23-16/h4-11H,3,12H2,1-2H3,(H,22,24)