2-(1-benzofuran-5-yl)-2-propylsulfanyl-propanoic acid

Systemtic Name: 2-(1-benzofuran-5-yl)-2-propylsulfanyl-propanoic acid Openeye Name: 2-(benzofuran-5-yl)-2-propylsulfanyl-propanoic acid CAS Name: 2-(5-benzofuranyl)-2-(propylthio)propanoic acid IUPAC Name: 2-(1-benzofuran-5-yl)-2-propylsulfanylpropanoic acid Traditional Name: 2-(benzofuran-5-yl)-2-(propylthio)propionic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C)(C1=CC2=C(C=C1)OC=C2)C(=O)O

Isomeric SMILES

CCCSC(C)(C1=CC2=C(C=C1)OC=C2)C(=O)O

InChI

InChI=1S/C14H16O3S/c1-3-8-18-14(2,13(15)16)11-4-5-12-10(9-11)6-7-17-12/h4-7,9H,3,8H2,1-2H3,(H,15,16)