ethyl 2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]ethanoate

Systemtic Name: ethyl 2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]ethanoate Openeye Name: ethyl 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]acetate CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]acetate Traditional Name: 2-[7-(4-methylthiobenzoyl)coumaran-5-yl]acetic acid ethyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC2=C(C(=C1)C(=S)C3=CC=C(C=C3)C)OCC2

Isomeric SMILES

CCOC(=O)CC1=CC2=C(C(=C1)C(=S)C3=CC=C(C=C3)C)OCC2

InChI

InChI=1S/C20H20O3S/c1-3-22-18(21)12-14-10-16-8-9-23-19(16)17(11-14)20(24)15-6-4-13(2)5-7-15/h4-7,10-11H,3,8-9,12H2,1-2H3