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

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethyl-propanamide Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethyl-propanamide CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-ethylpropanamide IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-ethylpropanamide Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-ethyl-propionamide Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-3-15-14(16)10(2)19-11-5-6-12-13(9-11)18-8-4-7-17-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,16)/t10-/m0/s1