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

Systemtic Name: 4-[[(E)-3-(5-chloranylthiophen-2-yl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-3-(5-chloro-2-thienyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(5-chloro-2-thiophenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-3-(5-chlorothiophen-2-yl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(5-chloro-2-thienyl)-2-cyano-acryloyl]amino]benzoate Formula: C15H8ClN2O3S- MolecularWeight: 331.75362

Click to see the large picture

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)/p-1/b10-7+