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

Systemtic Name: 4-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(E)-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[[(E)-3-(4-amylphenyl)acryloyl]amino]phenyl]thio]butyric acid Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCCCC(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=CC=CC=C2SCCCC(=O)O

InChI

InChI=1S/C24H29NO3S/c1-2-3-4-8-19-12-14-20(15-13-19)16-17-23(26)25-21-9-5-6-10-22(21)29-18-7-11-24(27)28/h5-6,9-10,12-17H,2-4,7-8,11,18H2,1H3,(H,25,26)(H,27,28)/b17-16+