2-[2-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[3-(3,6-dimethylbenzofuran-2-yl)heptylsulfanyl]-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[3-(3,6-dimethyl-2-benzofuranyl)heptylthio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[3-(3,6-dimethyl-1-benzofuran-2-yl)heptylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[3-(3,6-dimethylbenzofuran-2-yl)heptylthio]-4-methyl-thiazol-5-yl]acetic acid Formula: C23H29NO3S2 MolecularWeight: 431.61126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCSC1=NC(=C(S1)CC(=O)O)C)C2=C(C3=C(O2)C=C(C=C3)C)C

Isomeric SMILES

CCCCC(CCSC1=NC(=C(S1)CC(=O)O)C)C2=C(C3=C(O2)C=C(C=C3)C)C

InChI

InChI=1S/C23H29NO3S2/c1-5-6-7-17(22-15(3)18-9-8-14(2)12-19(18)27-22)10-11-28-23-24-16(4)20(29-23)13-21(25)26/h8-9,12,17H,5-7,10-11,13H2,1-4H3,(H,25,26)