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

Systemtic Name: 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[4-(methylthio)phenyl]acryloyl]amino]benzoate Formula: C18H13N2O3S- MolecularWeight: 337.37242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C18H14N2O3S/c1-24-16-8-2-12(3-9-16)10-14(11-19)17(21)20-15-6-4-13(5-7-15)18(22)23/h2-10H,1H3,(H,20,21)(H,22,23)/p-1/b14-10+