methyl 5-[[4-(1,3-dithian-2-yl)phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-dithian-2-yl)phenyl]carbonyloxymethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-dithian-2-yl)benzoyl]oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-dithian-2-yl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(1,3-dithian-2-yl)benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=C(C=C2)C3SCCCS3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=C(C=C2)C3SCCCS3)C(=O)OC

InChI

InChI=1S/C19H20O5S2/c1-12-16(18(21)22-2)10-15(24-12)11-23-17(20)13-4-6-14(7-5-13)19-25-8-3-9-26-19/h4-7,10,19H,3,8-9,11H2,1-2H3