3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid

Systemtic Name: 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(4-bromophenyl)acryloyl]amino]-2-thenoic acid Formula: C14H10BrNO3S MolecularWeight: 352.2031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC2=C(SC=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)NC2=C(SC=C2)C(=O)O)Br

InChI

InChI=1S/C14H10BrNO3S/c15-10-4-1-9(2-5-10)3-6-12(17)16-11-7-8-20-13(11)14(18)19/h1-8H,(H,16,17)(H,18,19)/b6-3+