3-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 3-[[(E)-3-(5-chloranylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 3-[[(E)-3-(5-chloro-2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: 3-[[(E)-3-(5-chloro-2-thiophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 3-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 3-[[(E)-3-(5-chloro-2-thienyl)acryloyl]amino]butyric acid Formula: C11H12ClNO3S MolecularWeight: 273.73588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)C=CC1=CC=C(S1)Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)/C=C/C1=CC=C(S1)Cl

InChI

InChI=1S/C11H12ClNO3S/c1-7(6-11(15)16)13-10(14)5-3-8-2-4-9(12)17-8/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)/b5-3+