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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCC(=O)NC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

C1=CSC(=C1)CCC(=O)NC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C16H15NO3S/c18-15(9-8-14-2-1-11-21-14)17-13-6-3-12(4-7-13)5-10-16(19)20/h1-7,10-11H,8-9H2,(H,17,18)(H,19,20)/b10-5+