3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 3-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 3-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H19ClN2O4S MolecularWeight: 382.86176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H19ClN2O4S/c1-11-7-15(20-24-11)19-16(21)3-6-25-10-12-8-13(18)17-14(9-12)22-4-2-5-23-17/h7-9H,2-6,10H2,1H3,(H,19,20,21)