4-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[[(E)-3-p-cumenylacryloyl]amino]phenyl]thio]butyric acid Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2SCCCC(=O)O

InChI

InChI=1S/C22H25NO3S/c1-16(2)18-12-9-17(10-13-18)11-14-21(24)23-19-6-3-4-7-20(19)27-15-5-8-22(25)26/h3-4,6-7,9-14,16H,5,8,15H2,1-2H3,(H,23,24)(H,25,26)/b14-11+