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

Systemtic Name: 4-[2-[[(E)-3-(4-cyclohexylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-[[(E)-3-(4-cyclohexylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[(E)-3-(4-cyclohexylphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-[[(E)-3-(4-cyclohexylphenyl)prop-2-enoyl]amino]phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-[[(E)-3-(4-cyclohexylphenyl)acryloyl]amino]phenyl]thio]butyric acid Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C=CC(=O)NC3=CC=CC=C3SCCCC(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3SCCCC(=O)O

InChI

InChI=1S/C25H29NO3S/c27-24(26-22-9-4-5-10-23(22)30-18-6-11-25(28)29)17-14-19-12-15-21(16-13-19)20-7-2-1-3-8-20/h4-5,9-10,12-17,20H,1-3,6-8,11,18H2,(H,26,27)(H,28,29)/b17-14+