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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyethyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyethyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxyethyl)propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-methoxyethyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-methoxyethyl)propionamide Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11(15(17)16-6-9-18-2)21-12-4-5-13-14(10-12)20-8-3-7-19-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,16,17)/t11-/m1/s1