N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethylphenyl)thio]acetamide Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H22N2O3S/c1-15-4-5-16(2)20(12-15)27-14-21(24)23(9-3-8-22)17-6-7-18-19(13-17)26-11-10-25-18/h4-7,12-13H,3,9-11,14H2,1-2H3