2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-(5-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-thienyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C15H9BrN2O3S MolecularWeight: 377.21256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C(=CC2=CC=C(S2)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrN2O3S/c16-13-6-5-10(22-13)7-9(8-17)14(19)18-12-4-2-1-3-11(12)15(20)21/h1-7H,(H,18,19)(H,20,21)/b9-7+