3-[2-[(E)-2-phenylazanylethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-2-phenylazanylethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-anilinovinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-anilinoethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-anilinoethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-2-anilinovinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c21-25(22,23)14-6-13-20-16-9-4-5-10-17(16)24-18(20)11-12-19-15-7-2-1-3-8-15/h1-5,7-12H,6,13-14H2,(H,21,22,23)