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

Systemtic Name: 2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]terephthalic acid Openeye Name: 2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]terephthalic acid CAS Name: 2-[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]terephthalic acid IUPAC Name: 2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]terephthalic acid Traditional Name: 2-[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]terephthalic acid Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO5S/c1-25-13-6-2-11(3-7-13)4-9-16(20)19-15-10-12(17(21)22)5-8-14(15)18(23)24/h2-10H,1H3,(H,19,20)(H,21,22)(H,23,24)/b9-4+