(E)-3-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-ylthio)-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-ylthio)acrylic acid Formula: C10H7NO2S2 MolecularWeight: 237.29808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S/C=C/C(=O)O

InChI

InChI=1S/C10H7NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-6H,(H,12,13)/b6-5+