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

Systemtic Name: 3-[[(E)-3-(5-bromanylthiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Openeye Name: 3-[[(E)-3-(5-bromo-2-thienyl)prop-2-enoyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[[(E)-3-(5-bromo-2-thiophenyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-[[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]amino]thiophene-2-carboxylic acid Traditional Name: 3-[[(E)-3-(5-bromo-2-thienyl)acryloyl]amino]-2-thenoic acid Formula: C12H8BrNO3S2 MolecularWeight: 358.23082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1NC(=O)C=CC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CSC(=C1NC(=O)/C=C/C2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C12H8BrNO3S2/c13-9-3-1-7(19-9)2-4-10(15)14-8-5-6-18-11(8)12(16)17/h1-6H,(H,14,15)(H,16,17)/b4-2+