3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid

Systemtic Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid Openeye Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propanoic acid CAS Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid IUPAC Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfopropanoic acid Traditional Name: 3-(5-methoxy-2-methyl-2H-1,3-benzothiazol-3-yl)-2-sulfo-propionic acid Formula: C12H15NO6S2 MolecularWeight: 333.3806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=CC(=C2)OC)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1N(C2=C(S1)C=CC(=C2)OC)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H15NO6S2/c1-7-13(6-11(12(14)15)21(16,17)18)9-5-8(19-2)3-4-10(9)20-7/h3-5,7,11H,6H2,1-2H3,(H,14,15)(H,16,17,18)