ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinoyl]amino]benzoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=C(ON=C3C)C

InChI

InChI=1S/C21H21N3O4S/c1-4-27-21(26)15-7-9-16(10-8-15)23-19(25)17-6-5-11-22-20(17)29-12-18-13(2)24-28-14(18)3/h5-11H,4,12H2,1-3H3,(H,23,25)