5-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]-3-methyl-2-thenoic acid Formula: C13H10BrNO4S MolecularWeight: 356.1918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)C=CC2=CC=C(O2)Br)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)/C=C/C2=CC=C(O2)Br)C(=O)O

InChI

InChI=1S/C13H10BrNO4S/c1-7-6-11(20-12(7)13(17)18)15-10(16)5-3-8-2-4-9(14)19-8/h2-6H,1H3,(H,15,16)(H,17,18)/b5-3+