7-(1-benzofuran-2-yl)-2-ethanoylsulfanyl-heptanoic acid

Systemtic Name: 7-(1-benzofuran-2-yl)-2-ethanoylsulfanyl-heptanoic acid Openeye Name: 2-acetylsulfanyl-7-(benzofuran-2-yl)heptanoic acid CAS Name: 2-(acetylthio)-7-(2-benzofuranyl)heptanoic acid IUPAC Name: 2-acetylsulfanyl-7-(1-benzofuran-2-yl)heptanoic acid Traditional Name: 2-(acetylthio)-7-(benzofuran-2-yl)enanthic acid Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCCCCC1=CC2=CC=CC=C2O1)C(=O)O

Isomeric SMILES

CC(=O)SC(CCCCCC1=CC2=CC=CC=C2O1)C(=O)O

InChI

InChI=1S/C17H20O4S/c1-12(18)22-16(17(19)20)10-4-2-3-8-14-11-13-7-5-6-9-15(13)21-14/h5-7,9,11,16H,2-4,8,10H2,1H3,(H,19,20)