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

Systemtic Name: 4-[2-[[(E)-3-(2-methyl-4-pentyl-phenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[[(E)-3-(2-methyl-4-pentyl-phenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(E)-3-(2-methyl-4-pentylphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(2-methyl-4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[[(E)-3-(4-amyl-2-methyl-phenyl)acryloyl]amino]phenyl]thio]butyric acid Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3S/c1-3-4-5-9-20-13-14-21(19(2)18-20)15-16-24(27)26-22-10-6-7-11-23(22)30-17-8-12-25(28)29/h6-7,10-11,13-16,18H,3-5,8-9,12,17H2,1-2H3,(H,26,27)(H,28,29)/b16-15+