[4-[2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-[2-cyano-2-(phenylsulfonyl)ethenyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[2-(benzenesulfonyl)-2-cyano-vinyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-(benzenesulfonyl)-2-cyanoethenyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(2-besyl-2-cyano-vinyl)-2-ethoxy-phenyl] ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H21NO5S/c1-3-30-24-16-19(15-22(17-26)32(28,29)21-10-5-4-6-11-21)12-13-23(24)31-25(27)20-9-7-8-18(2)14-20/h4-16H,3H2,1-2H3