methyl 4-[[2-(furan-2-yl)-1,3-dithian-2-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-(furan-2-yl)-1,3-dithian-2-yl]methyl]benzoate Openeye Name: methyl 4-[[2-(2-furyl)-1,3-dithian-2-yl]methyl]benzoate CAS Name: 4-[[2-(2-furanyl)-1,3-dithian-2-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(furan-2-yl)-1,3-dithian-2-yl]methyl]benzoate Traditional Name: 4-[[2-(2-furyl)-1,3-dithian-2-yl]methyl]benzoic acid methyl ester Formula: C17H18O3S2 MolecularWeight: 334.45302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2(SCCCS2)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2(SCCCS2)C3=CC=CO3

InChI

InChI=1S/C17H18O3S2/c1-19-16(18)14-7-5-13(6-8-14)12-17(15-4-2-9-20-15)21-10-3-11-22-17/h2,4-9H,3,10-12H2,1H3