2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,6-dimethylphenyl)acetamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-13-5-3-6-14(2)19(13)20-18(21)12-24-15-7-8-16-17(11-15)23-10-4-9-22-16/h3,5-8,11H,4,9-10,12H2,1-2H3,(H,20,21)