2-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-[4-(methylthio)phenyl]acryloyl]amino]benzoic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H14N2O3S/c1-24-14-8-6-12(7-9-14)10-13(11-19)17(21)20-16-5-3-2-4-15(16)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/b13-10+