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

Systemtic Name: 3-[[2-cyano-3-(4-phenylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(4-phenylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-1-oxo-3-[4-(phenylthio)phenyl]prop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(4-phenylsulfanylphenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-[4-(phenylthio)phenyl]acryloyl]amino]benzoic acid Formula: C23H16N2O3S MolecularWeight: 400.44974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H16N2O3S/c24-15-18(22(26)25-19-6-4-5-17(14-19)23(27)28)13-16-9-11-21(12-10-16)29-20-7-2-1-3-8-20/h1-14H,(H,25,26)(H,27,28)