2-[1-[butyl-[(E)-3-phenylprop-2-enoyl]amino]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-[butyl-[(E)-3-phenylprop-2-enoyl]amino]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-[butyl-[(E)-3-phenylprop-2-enoyl]amino]ethylsulfanyl]acetic acid CAS Name: 2-[1-[butyl-[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethylthio]acetic acid IUPAC Name: 2-[1-[butyl-[(E)-3-phenylprop-2-enoyl]amino]ethylsulfanyl]acetic acid Traditional Name: 2-[1-[butyl-[(E)-3-phenylacryloyl]amino]ethylthio]acetic acid Formula: C17H23NO3S MolecularWeight: 321.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)SCC(=O)O)C(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCCCN(C(C)SCC(=O)O)C(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H23NO3S/c1-3-4-12-18(14(2)22-13-17(20)21)16(19)11-10-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)/b11-10+