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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-mesityl-acetamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S/c1-13-9-14(2)20(15(3)10-13)21-19(22)12-25-16-5-6-17-18(11-16)24-8-4-7-23-17/h5-6,9-11H,4,7-8,12H2,1-3H3,(H,21,22)