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

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-(2-cyanoethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N(CCC#N)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21N3O4S/c1-15(25)23-16-3-6-18(7-4-16)29-14-21(26)24(10-2-9-22)17-5-8-19-20(13-17)28-12-11-27-19/h3-8,13H,2,10-12,14H2,1H3,(H,23,25)