3-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoate

Systemtic Name: 3-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoate Openeye Name: 3-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]propanoate CAS Name: 3-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoate IUPAC Name: 3-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]propanoate Traditional Name: 3-[2-[(E)-styryl]-1,3-benzothiazol-3-ium-3-yl]propionate Formula: C18H15NO2S MolecularWeight: 309.3822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CCC(=O)[O-]

InChI

InChI=1S/C18H15NO2S/c20-18(21)12-13-19-15-8-4-5-9-16(15)22-17(19)11-10-14-6-2-1-3-7-14/h1-11H,12-13H2/b11-10+