N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-phenylacetamide IUPAC Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-phenylacetamide Traditional Name: N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-phenyl-acetamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c20-9-4-10-21(15-5-2-1-3-6-15)19(22)14-25-16-7-8-17-18(13-16)24-12-11-23-17/h1-3,5-8,13H,4,10-12,14H2