(E)-3-[4-(1,3-thiazol-5-ylmethyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1,3-thiazol-5-ylmethyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(thiazol-5-ylmethyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(5-thiazolylmethyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1,3-thiazol-5-ylmethyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(thiazol-5-ylmethyl)phenyl]acrylic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=CS2)C=CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=CS2)/C=C/C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)6-5-10-1-3-11(4-2-10)7-12-8-14-9-17-12/h1-6,8-9H,7H2,(H,15,16)/b6-5+