2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-13-4-6-16(22-2)15(10-13)20-19(21)12-25-14-5-7-17-18(11-14)24-9-3-8-23-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,21)