(E)-3-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]prop-2-enoic acid

Systemtic Name: (E)-3-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: (E)-3-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]prop-2-enoic acid CAS Name: (E)-3-[(4-methyl-1,3-benzothiazol-2-yl)thio]-2-propenoic acid IUPAC Name: (E)-3-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: (E)-3-[(4-methyl-1,3-benzothiazol-2-yl)thio]acrylic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SC=CC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)S/C=C/C(=O)O

InChI

InChI=1S/C11H9NO2S2/c1-7-3-2-4-8-10(7)12-11(16-8)15-6-5-9(13)14/h2-6H,1H3,(H,13,14)/b6-5+