[3-cyano-3-(4-dimethylaminophenyl)propyl] (E)-5-(3-methylsulfonylphenyl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: [3-cyano-3-(4-dimethylaminophenyl)propyl] (E)-5-(3-methylsulfonylphenyl)-3-oxidanylidene-pent-4-enoate Openeye Name: [3-cyano-3-(4-dimethylaminophenyl)propyl] (E)-5-(3-methylsulfonylphenyl)-3-oxo-pent-4-enoate CAS Name: (E)-5-(3-methylsulfonylphenyl)-3-oxo-4-pentenoic acid [3-cyano-3-(4-dimethylaminophenyl)propyl] ester IUPAC Name: [3-cyano-3-(4-dimethylaminophenyl)propyl] (E)-5-(3-methylsulfonylphenyl)-3-oxopent-4-enoate Traditional Name: (E)-3-keto-5-(3-mesylphenyl)pent-4-enoic acid [3-cyano-3-(4-dimethylaminophenyl)propyl] ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CCOC(=O)CC(=O)C=CC2=CC(=CC=C2)S(=O)(=O)C)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CCOC(=O)CC(=O)/C=C/C2=CC(=CC=C2)S(=O)(=O)C)C#N

InChI

InChI=1S/C24H26N2O5S/c1-26(2)21-10-8-19(9-11-21)20(17-25)13-14-31-24(28)16-22(27)12-7-18-5-4-6-23(15-18)32(3,29)30/h4-12,15,20H,13-14,16H2,1-3H3/b12-7+