(E)-3-[4-bromanyl-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-[methyl(3-thienylmethyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-[methyl(3-thiophenylmethyl)amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-[methyl(thiophen-3-ylmethyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-[methyl(3-thenyl)amino]phenyl]acrylic acid Formula: C15H14BrNO2S MolecularWeight: 352.24616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

CN(CC1=CSC=C1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C15H14BrNO2S/c1-17(9-11-6-7-20-10-11)14-8-13(16)4-2-12(14)3-5-15(18)19/h2-8,10H,9H2,1H3,(H,18,19)/b5-3+