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

Systemtic Name: 4-[2-[[(E)-2-methyl-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[[(E)-2-methyl-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(E)-2-methyl-1-oxo-3-(4-pentylphenyl)prop-2-enyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[[(E)-2-methyl-3-(4-pentylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[[(E)-3-(4-amylphenyl)-2-methyl-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=C(C)C(=O)NC2=CC=CC=C2SCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3S/c1-3-4-5-9-20-13-15-21(16-14-20)18-19(2)25(29)26-22-10-6-7-11-23(22)30-17-8-12-24(27)28/h6-7,10-11,13-16,18H,3-5,8-9,12,17H2,1-2H3,(H,26,29)(H,27,28)/b19-18+