(E)-3-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[(5-bromanylthiophen-2-yl)carbonylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[(5-bromothiophene-2-carbonyl)amino]phenyl]acrylic acid Formula: C14H10BrNO3S MolecularWeight: 352.2031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)NC(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)NC(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C14H10BrNO3S/c15-12-7-6-11(20-12)14(19)16-10-4-1-9(2-5-10)3-8-13(17)18/h1-8H,(H,16,19)(H,17,18)/b8-3+