(2S)-3-phenyl-2-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]propanoic acid

Systemtic Name: (2S)-3-phenyl-2-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]propanoic acid Openeye Name: (2S)-3-phenyl-2-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]propanoic acid CAS Name: (2S)-2-[[(E)-1-oxo-3-(phenylthio)prop-2-enyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-3-phenyl-2-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]propanoic acid Traditional Name: (2S)-3-phenyl-2-[[(E)-3-(phenylthio)acryloyl]amino]propionic acid Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C18H17NO3S/c20-17(11-12-23-15-9-5-2-6-10-15)19-16(18(21)22)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H,19,20)(H,21,22)/b12-11+/t16-/m0/s1