2-[[(E)-2-cyano-3-thiophen-2-yl-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-thiophen-2-yl-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(2-thienyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(2-thienyl)acryloyl]amino]benzoic acid Formula: C15H10N2O3S MolecularWeight: 298.3165

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)/C(=C/C2=CC=CS2)/C#N

InChI

InChI=1S/C15H10N2O3S/c16-9-10(8-11-4-3-7-21-11)14(18)17-13-6-2-1-5-12(13)15(19)20/h1-8H,(H,17,18)(H,19,20)/b10-8+