2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclopentane]yl)-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-nicotinamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

InChI

InChI=1S/C22H21N3O4S/c1-14-11-16(25-29-14)13-30-21-17(5-4-10-23-21)20(26)24-15-6-7-18-19(12-15)28-22(27-18)8-2-3-9-22/h4-7,10-12H,2-3,8-9,13H2,1H3,(H,24,26)