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

Systemtic Name: (2R)-N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Openeye Name: (2R)-N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: (2R)-N-[(tert-butylamino)-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanamide IUPAC Name: (2R)-N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: (2R)-N-(tert-butylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)SC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H24N2O4S/c1-11(15(20)18-16(21)19-17(2,3)4)24-12-6-7-13-14(10-12)23-9-5-8-22-13/h6-7,10-11H,5,8-9H2,1-4H3,(H2,18,19,20,21)/t11-/m1/s1