3-[[3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[3-(4-bromanylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[3-(4-bromo-2-thienyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[3-(4-bromo-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[3-(4-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[3-(4-bromo-2-thienyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C15H9BrN2O3S MolecularWeight: 377.21256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=CS2)Br)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C(=CC2=CC(=CS2)Br)C#N)C(=O)O

InChI

InChI=1S/C15H9BrN2O3S/c16-11-6-13(22-8-11)5-10(7-17)14(19)18-12-3-1-2-9(4-12)15(20)21/h1-6,8H,(H,18,19)(H,20,21)