N-(5-chloranylpyridin-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17ClN2O3S/c1-11(17(21)20-16-6-3-12(18)10-19-16)24-13-4-5-14-15(9-13)23-8-2-7-22-14/h3-6,9-11H,2,7-8H2,1H3,(H,19,20,21)