ethyl 3-[4-[2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl 3-[4-[2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3-[4-[2-(5-bromo-2-methyl-phenyl)sulfanylacetyl]oxy-3-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: 3-[4-[2-[(5-bromo-2-methylphenyl)thio]-1-oxoethoxy]-3-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(5-bromo-2-methylphenyl)sulfanylacetyl]oxy-3-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: 3-[4-[2-[(5-bromo-2-methyl-phenyl)thio]acetyl]oxy-3-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CSC2=C(C=CC(=C2)Br)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)CSC2=C(C=CC(=C2)Br)C

InChI

InChI=1S/C23H22BrNO5S/c1-4-28-20-11-16(10-17(13-25)23(27)29-5-2)7-9-19(20)30-22(26)14-31-21-12-18(24)8-6-15(21)3/h6-12H,4-5,14H2,1-3H3