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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(5-chloro-2-pyridinyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(5-chloro-2-pyridyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=NC=C(C=C3)Cl)OC1

InChI

InChI=1S/C16H15ClN2O3S/c17-11-2-5-15(18-9-11)19-16(20)10-23-12-3-4-13-14(8-12)22-7-1-6-21-13/h2-5,8-9H,1,6-7,10H2,(H,18,19,20)