2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,5-dimethoxyphenyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2,5-dimethoxyphenyl)propionamide Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H23NO5S/c1-13(20(22)21-16-11-14(23-2)5-7-17(16)24-3)27-15-6-8-18-19(12-15)26-10-4-9-25-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,21,22)