(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(1,3-dithian-2-yl)benzoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H18BrNO3S2 MolecularWeight: 464.39582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C20H18BrNO3S2/c1-2-24-17-11-13(12-22)10-16(21)18(17)25-19(23)14-4-6-15(7-5-14)20-26-8-3-9-27-20/h4-7,10-11,20H,2-3,8-9H2,1H3