2-[6-methoxy-7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[6-methoxy-7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-methoxy-7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-methoxy-7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-methoxy-7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-methoxy-7-(4-methylthiobenzoyl)coumaran-5-yl]propionic acid Formula: C20H20O4S MolecularWeight: 356.4354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2OC)C(C)C(=O)O)CCO3

InChI

InChI=1S/C20H20O4S/c1-11-4-6-13(7-5-11)19(25)16-17-14(8-9-24-17)10-15(18(16)23-3)12(2)20(21)22/h4-7,10,12H,8-9H2,1-3H3,(H,21,22)