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

Systemtic Name: ethyl 2-[7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]propanoate Openeye Name: ethyl 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]propanoate CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]propanoate Traditional Name: 2-[7-(4-methylthiobenzoyl)coumaran-5-yl]propionic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O3S/c1-4-23-21(22)14(3)17-11-16-9-10-24-19(16)18(12-17)20(25)15-7-5-13(2)6-8-15/h5-8,11-12,14H,4,9-10H2,1-3H3