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

Systemtic Name: N-(1-cyanocyclopentyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(1-cyanocyclopentyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H20N2O3S/c18-12-17(6-1-2-7-17)19-16(20)11-23-13-4-5-14-15(10-13)22-9-3-8-21-14/h4-5,10H,1-3,6-9,11H2,(H,19,20)