1,3-dioxolan-4-ylmethyl 2-methyl-2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]propanoate

Systemtic Name: 1,3-dioxolan-4-ylmethyl 2-methyl-2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]propanoate Openeye Name: 1,3-dioxolan-4-ylmethyl 2-methyl-2-[7-(4-methylbenzenecarbothioyl)benzofuran-5-yl]propanoate CAS Name: 2-methyl-2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-5-benzofuranyl]propanoic acid 1,3-dioxolan-4-ylmethyl ester IUPAC Name: 1,3-dioxolan-4-ylmethyl 2-methyl-2-[7-(4-methylbenzenecarbothioyl)-1-benzofuran-5-yl]propanoate Traditional Name: 2-methyl-2-[7-(4-methylthiobenzoyl)benzofuran-5-yl]propionic acid 1,3-dioxolan-4-ylmethyl ester Formula: C24H24O5S MolecularWeight: 424.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)C(C)(C)C(=O)OCC4COCO4)C=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)C(C)(C)C(=O)OCC4COCO4)C=CO3

InChI

InChI=1S/C24H24O5S/c1-15-4-6-16(7-5-15)22(30)20-11-18(10-17-8-9-27-21(17)20)24(2,3)23(25)28-13-19-12-26-14-29-19/h4-11,19H,12-14H2,1-3H3