(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid

Systemtic Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid Openeye Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propanoic acid IUPAC Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanoic acid Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-8(12(13)14)17-9-3-4-10-11(7-9)16-6-2-5-15-10/h3-4,7-8H,2,5-6H2,1H3,(H,13,14)/t8-/m0/s1