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

Systemtic Name: 4-(4-bromophenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-[[(E)-3-(2-furyl)prop-2-enoyl]amino]thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-[[(E)-3-(2-furyl)acryloyl]amino]-3-thenoic acid Formula: C18H12BrNO4S MolecularWeight: 418.26118

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=COC(=C1)/C=C/C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H12BrNO4S/c19-12-5-3-11(4-6-12)14-10-25-17(16(14)18(22)23)20-15(21)8-7-13-2-1-9-24-13/h1-10H,(H,20,21)(H,22,23)/b8-7+