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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-ethanoylphenyl)propanamide Openeye Name: (2R)-N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-N-(2-acetylphenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(=O)C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO4S/c1-13(22)16-6-3-4-7-17(16)21-20(23)14(2)26-15-8-9-18-19(12-15)25-11-5-10-24-18/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,21,23)/t14-/m1/s1