2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-[[(E)-3-(5-bromanylfuran-2-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-[[(E)-3-(5-bromo-2-furyl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[(E)-3-(5-bromo-2-furanyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[[(E)-3-(5-bromofuran-2-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-[[(E)-3-(5-bromo-2-furyl)acryloyl]amino]-4,5-dimethyl-3-thenoic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)C=CC2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)/C=C/C2=CC=C(O2)Br)C

InChI

InChI=1S/C14H12BrNO4S/c1-7-8(2)21-13(12(7)14(18)19)16-11(17)6-4-9-3-5-10(15)20-9/h3-6H,1-2H3,(H,16,17)(H,18,19)/b6-4+