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

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyridylsulfanyl)acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyridinylthio)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-pyridylthio)acetamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=N3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=CC=CC=N3)OC1

InChI

InChI=1S/C16H16N2O3S/c19-15(11-22-16-4-1-2-7-17-16)18-12-5-6-13-14(10-12)21-9-3-8-20-13/h1-2,4-7,10H,3,8-9,11H2,(H,18,19)