(Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)azaniumyl]-2-methyl-but-2-ene-1-sulfonate

Systemtic Name: (Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)azaniumyl]-2-methyl-but-2-ene-1-sulfonate Openeye Name: (Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)ammonio]-2-methyl-but-2-ene-1-sulfonate CAS Name: (Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)ammonio]-2-methyl-2-butene-1-sulfonate IUPAC Name: (Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)azaniumyl]-2-methylbut-2-ene-1-sulfonate Traditional Name: (Z)-4-[(5-methoxy-1,3-benzothiazol-2-yl)ammonio]-2-methyl-but-2-ene-1-sulfonate Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH2+]C1=NC2=C(S1)C=CC(=C2)OC)CS(=O)(=O)[O-]

Isomeric SMILES

C/C(=C/C[NH2+]C1=NC2=C(S1)C=CC(=C2)OC)/CS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N2O4S2/c1-9(8-21(16,17)18)5-6-14-13-15-11-7-10(19-2)3-4-12(11)20-13/h3-5,7H,6,8H2,1-2H3,(H,14,15)(H,16,17,18)/b9-5-