3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propanoate

Systemtic Name: 3-(2-methyl-5-oxidanyl-1,3-benzothiazol-3-ium-3-yl)propanoate Openeye Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate CAS Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate IUPAC Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate Traditional Name: 3-(5-hydroxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionate Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)O)CCC(=O)[O-]

InChI

InChI=1S/C11H11NO3S/c1-7-12(5-4-11(14)15)9-6-8(13)2-3-10(9)16-7/h2-3,6H,4-5H2,1H3,(H-,13,14,15)