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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-phenoxyphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-phenoxyphenyl)acetamide Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4)OC1

InChI

InChI=1S/C23H21NO4S/c25-23(16-29-18-11-12-21-22(15-18)27-14-6-13-26-21)24-19-9-4-5-10-20(19)28-17-7-2-1-3-8-17/h1-5,7-12,15H,6,13-14,16H2,(H,24,25)