2-[7-(2-methylphenyl)carbothioyl-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-(2-methylphenyl)carbothioyl-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(2-methylbenzenecarbothioyl)benzofuran-5-yl]acetic acid CAS Name: 2-[7-[(2-methylphenyl)-sulfanylidenemethyl]-5-benzofuranyl]acetic acid IUPAC Name: 2-[7-(2-methylbenzenecarbothioyl)-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-(2-methylthiobenzoyl)benzofuran-5-yl]acetic acid Formula: C18H14O3S MolecularWeight: 310.36696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C3C(=CC(=C2)CC(=O)O)C=CO3

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C3C(=CC(=C2)CC(=O)O)C=CO3

InChI

InChI=1S/C18H14O3S/c1-11-4-2-3-5-14(11)18(22)15-9-12(10-16(19)20)8-13-6-7-21-17(13)15/h2-9H,10H2,1H3,(H,19,20)