3-[2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]ethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]ethylsulfanyl]propanoic acid Openeye Name: 3-[2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]ethylsulfanyl]propanoic acid CAS Name: 3-[2-[[(2E,4E)-1-oxo-5-phenylpenta-2,4-dienyl]amino]ethylthio]propanoic acid IUPAC Name: 3-[2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]ethylsulfanyl]propanoic acid Traditional Name: 3-[2-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]ethylthio]propionic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC=CC(=O)NCCSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C=C/C(=O)NCCSCCC(=O)O

InChI

InChI=1S/C16H19NO3S/c18-15(17-11-13-21-12-10-16(19)20)9-5-4-8-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,17,18)(H,19,20)/b8-4+,9-5+