2-acetamido-2-(3-methyl-1-benzofuran-5-yl)-2-methylsulfanyl-ethanethioic S-acid

Systemtic Name: 2-acetamido-2-(3-methyl-1-benzofuran-5-yl)-2-methylsulfanyl-ethanethioic S-acid Openeye Name: 2-acetamido-2-(3-methylbenzofuran-5-yl)-2-methylsulfanyl-ethanethioic S-acid CAS Name: 2-acetamido-2-(3-methyl-5-benzofuranyl)-2-(methylthio)ethanethioic S-acid IUPAC Name: 2-acetamido-2-(3-methyl-1-benzofuran-5-yl)-2-methylsulfanylethanethioic S-acid Traditional Name: 2-acetamido-2-(3-methylbenzofuran-5-yl)-2-(methylthio)thioacetic acid Formula: C14H15NO3S2 MolecularWeight: 309.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C=C(C=C2)C(C(=O)S)(NC(=O)C)SC

Isomeric SMILES

CC1=COC2=C1C=C(C=C2)C(C(=O)S)(NC(=O)C)SC

InChI

InChI=1S/C14H15NO3S2/c1-8-7-18-12-5-4-10(6-11(8)12)14(20-3,13(17)19)15-9(2)16/h4-7H,1-3H3,(H,15,16)(H,17,19)