2,3-bis(oxidanyl)propyl 2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]ethanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]ethanoate Openeye Name: 2,3-dihydroxypropyl 2-[7-(4-methylbenzenecarbothioyl)benzofuran-5-yl]acetate CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-5-benzofuranyl]acetic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2-[7-(4-methylbenzenecarbothioyl)-1-benzofuran-5-yl]acetate Traditional Name: 2-[7-(4-methylthiobenzoyl)benzofuran-5-yl]acetic acid glyceryl ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)CC(=O)OCC(CO)O)C=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)CC(=O)OCC(CO)O)C=CO3

InChI

InChI=1S/C21H20O5S/c1-13-2-4-15(5-3-13)21(27)18-9-14(8-16-6-7-25-20(16)18)10-19(24)26-12-17(23)11-22/h2-9,17,22-23H,10-12H2,1H3