2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]acetamide Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4O3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CSC3=NC4=CC=CC=C4O3)Cl)OC1

InChI

InChI=1S/C19H17ClN2O4S/c20-13-8-12(9-16-18(13)25-7-3-6-24-16)10-21-17(23)11-27-19-22-14-4-1-2-5-15(14)26-19/h1-2,4-5,8-9H,3,6-7,10-11H2,(H,21,23)