2-[[(E)-3-phenylprop-2-enoyl]amino]-3-propan-2-ylsulfanyl-propanoic acid

Systemtic Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-3-propan-2-ylsulfanyl-propanoic acid Openeye Name: 3-isopropylsulfanyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoic acid CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-3-(propan-2-ylthio)propanoic acid IUPAC Name: 2-[[(E)-3-phenylprop-2-enoyl]amino]-3-propan-2-ylsulfanylpropanoic acid Traditional Name: 3-(isopropylthio)-2-[[(E)-3-phenylacryloyl]amino]propionic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3S/c1-11(2)20-10-13(15(18)19)16-14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13H,10H2,1-2H3,(H,16,17)(H,18,19)/b9-8+