2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H17ClN2O4S/c1-12-7-17(23-27-12)22-20(24)19(14-5-3-2-4-6-14)28-10-13-8-15(21)18-16(9-13)25-11-26-18/h2-9,19H,10-11H2,1H3,(H,22,23,24)