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

Systemtic Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methylthio]propanoic acid IUPAC Name: 3-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methylthio]propionic acid Formula: C15H20O4S MolecularWeight: 296.3819

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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)/t10-/m0/s1