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

Systemtic Name: (E)-3-[3-bromanyl-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-5-methoxy-4-(thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-5-methoxy-4-(4-thiazolylmethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-5-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-5-methoxy-4-(thiazol-4-ylmethoxy)phenyl]acrylic acid Formula: C14H12BrNO4S MolecularWeight: 370.21838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCC2=CSC=N2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCC2=CSC=N2

InChI

InChI=1S/C14H12BrNO4S/c1-19-12-5-9(2-3-13(17)18)4-11(15)14(12)20-6-10-7-21-8-16-10/h2-5,7-8H,6H2,1H3,(H,17,18)/b3-2+