3-benzo[g][1,3]benzothiazol-2-ylpropanoic acid

Systemtic Name: 3-benzo[g][1,3]benzothiazol-2-ylpropanoic acid Openeye Name: 3-benzo[g][1,3]benzothiazol-2-ylpropanoic acid CAS Name: 3-(2-benzo[g][1,3]benzothiazolyl)propanoic acid IUPAC Name: 3-benzo[g][1,3]benzothiazol-2-ylpropanoic acid Traditional Name: 3-benzo[g][1,3]benzothiazol-2-ylpropionic acid Formula: C14H11NO2S MolecularWeight: 257.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2SC(=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2SC(=N3)CCC(=O)O

InChI

InChI=1S/C14H11NO2S/c16-13(17)8-7-12-15-11-6-5-9-3-1-2-4-10(9)14(11)18-12/h1-6H,7-8H2,(H,16,17)