(E)-3-[4-(1,2-thiazol-3-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1,2-thiazol-3-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-(4-isothiazol-3-ylphenyl)prop-2-enoic acid CAS Name: (E)-3-[4-(3-isothiazolyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1,2-thiazol-3-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-(4-isothiazol-3-ylphenyl)acrylic acid Formula: C12H9NO2S MolecularWeight: 231.27036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)O)C2=NSC=C2

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)O)C2=NSC=C2

InChI

InChI=1S/C12H9NO2S/c14-12(15)6-3-9-1-4-10(5-2-9)11-7-8-16-13-11/h1-8H,(H,14,15)/b6-3+