(E)-3-[4-(3-thiophen-3-ylpropanoylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-thiophen-3-ylpropanoylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(3-thienyl)propanoylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[1-oxo-3-(3-thiophenyl)propyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-thiophen-3-ylpropanoylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(3-thienyl)propanoylamino]phenyl]acrylic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)CCC2=CSC=C2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)NC(=O)CCC2=CSC=C2

InChI

InChI=1S/C16H15NO3S/c18-15(7-3-13-9-10-21-11-13)17-14-5-1-12(2-6-14)4-8-16(19)20/h1-2,4-6,8-11H,3,7H2,(H,17,18)(H,19,20)/b8-4+