(5-ethanoyl-2-ethoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C22H24O4S2 MolecularWeight: 416.55356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H24O4S2/c1-3-25-20-10-9-18(15(2)23)13-19(20)14-26-21(24)16-5-7-17(8-6-16)22-27-11-4-12-28-22/h5-10,13,22H,3-4,11-12,14H2,1-2H3