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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetamide Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=CS3)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=C(C=CS3)C#N)OC1

InChI

InChI=1S/C16H14N2O3S2/c17-9-11-4-7-22-16(11)18-15(19)10-23-12-2-3-13-14(8-12)21-6-1-5-20-13/h2-4,7-8H,1,5-6,10H2,(H,18,19)