3-[4-methyl-2-[(E)-2-phenylazanylethenyl]-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[4-methyl-2-[(E)-2-phenylazanylethenyl]-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-anilinovinyl]-4-methyl-thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-anilinoethenyl]-4-methyl-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-anilinoethenyl]-4-methyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-2-anilinovinyl]-4-methyl-thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[N+]1CCCS(=O)(=O)[O-])C=CNC2=CC=CC=C2

Isomeric SMILES

CC1=CSC(=[N+]1CCCS(=O)(=O)[O-])/C=C/NC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O3S2/c1-13-12-21-15(17(13)10-5-11-22(18,19)20)8-9-16-14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,18,19,20)