3-(5-methoxy-2-methyl-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-methoxy-2-methyl-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid Openeye Name: 3-(5-methoxy-2-methyl-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid CAS Name: 3-(5-methoxy-2-methyl-1-thieno[2,3-e][1,3]benzothiazol-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(5-methoxy-2-methylthieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid Traditional Name: 3-(5-methoxy-2-methyl-thieno[2,3-e][1,3]benzothiazol-1-ium-1-yl)propane-1-sulfonic acid Formula: C14H16NO4S3+ MolecularWeight: 358.47614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C3=C2SC=C3)OC)CCCS(=O)(=O)O

InChI

InChI=1S/C14H15NO4S3/c1-9-15(5-3-7-22(16,17)18)13-12(21-9)8-11(19-2)10-4-6-20-14(10)13/h4,6,8H,3,5,7H2,1-2H3/p+1