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

Systemtic Name: methyl 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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