(E)-3-(2-acetamido-5-bromanyl-1,3-thiazol-4-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-acetamido-5-bromanyl-1,3-thiazol-4-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-acetamido-5-bromo-thiazol-4-yl)prop-2-enoic acid CAS Name: (E)-3-(2-acetamido-5-bromo-4-thiazolyl)-2-propenoic acid IUPAC Name: (E)-3-(2-acetamido-5-bromo-1,3-thiazol-4-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-acetamido-5-bromo-thiazol-4-yl)acrylic acid Formula: C8H7BrN2O3S MolecularWeight: 291.12178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)Br)C=CC(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)Br)/C=C/C(=O)O

InChI

InChI=1S/C8H7BrN2O3S/c1-4(12)10-8-11-5(7(9)15-8)2-3-6(13)14/h2-3H,1H3,(H,13,14)(H,10,11,12)/b3-2+