4-[[(E)-3-(5-chloranylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-3-(5-chloranylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-3-(5-chloro-2-thienyl)-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-3-(5-chloro-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-3-(5-chloro-2-thienyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C15H9ClN2O3S MolecularWeight: 332.76156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(=CC2=CC=C(S2)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)/C(=C/C2=CC=C(S2)Cl)/C#N

InChI

InChI=1S/C15H9ClN2O3S/c16-13-6-5-12(22-13)7-10(8-17)14(19)18-11-3-1-9(2-4-11)15(20)21/h1-7H,(H,18,19)(H,20,21)/b10-7+