(2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-(2-thienyl)acryloyl]amino]propionate Formula: C13H12N3O3S- MolecularWeight: 290.31768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C=CC(=O)NC(CC2=CN=CN2)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)/C=C/C(=O)N[C@@H](CC2=CN=CN2)C(=O)[O-]

InChI

InChI=1S/C13H13N3O3S/c17-12(4-3-10-2-1-5-20-10)16-11(13(18)19)6-9-7-14-8-15-9/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/p-1/b4-3+/t11-/m0/s1