3-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoic acid Openeye Name: 3-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoic acid CAS Name: 3-[[2-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]phenyl]thio]propanoic acid IUPAC Name: 3-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[[(E)-3-(4-amylphenyl)acryloyl]amino]phenyl]thio]propionic acid Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCCC(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2SCCC(=O)O

InChI

InChI=1S/C23H27NO3S/c1-2-3-4-7-18-10-12-19(13-11-18)14-15-22(25)24-20-8-5-6-9-21(20)28-17-16-23(26)27/h5-6,8-15H,2-4,7,16-17H2,1H3,(H,24,25)(H,26,27)/b15-14+