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

Systemtic Name: (2R)-N-(2-chloranylpyridin-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: (2R)-N-(2-chloro-3-pyridyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-(2-chloro-3-pyridinyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(2-chloropyridin-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2-chloro-3-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=C(N=CC=C1)Cl)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H17ClN2O3S/c1-11(17(21)20-13-4-2-7-19-16(13)18)24-12-5-6-14-15(10-12)23-9-3-8-22-14/h2,4-7,10-11H,3,8-9H2,1H3,(H,20,21)/t11-/m1/s1