3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]propanoate

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]propanoate Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]propanoate CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]propanoate IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]propanoate Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]propionate Formula: C15H19O4S- MolecularWeight: 295.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CSCCC(=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CSCCC(=O)[O-]

InChI

InChI=1S/C15H20O4S/c1-3-18-13-7-11-6-10(2)19-14(11)8-12(13)9-20-5-4-15(16)17/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)/p-1/t10-/m0/s1