methyl 7-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridin-3-yl]carbonylamino]heptanoate Openeye Name: methyl 7-[[2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]heptanoate CAS Name: 7-[[[2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinyl]-oxomethyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]heptanoate Traditional Name: 7-[[2-[(5-methylisoxazol-3-yl)methylthio]nicotinoyl]amino]enanthic acid methyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCCCCCC(=O)OC

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCCCCCCC(=O)OC

InChI

InChI=1S/C19H25N3O4S/c1-14-12-15(22-26-14)13-27-19-16(8-7-11-21-19)18(24)20-10-6-4-3-5-9-17(23)25-2/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,20,24)