2-benzo[e][1,3]benzothiazol-2-ylbenzoic acid

Systemtic Name: 2-benzo[e][1,3]benzothiazol-2-ylbenzoic acid Openeye Name: 2-benzo[e][1,3]benzothiazol-2-ylbenzoic acid CAS Name: 2-(2-benzo[e][1,3]benzothiazolyl)benzoic acid IUPAC Name: 2-benzo[e][1,3]benzothiazol-2-ylbenzoic acid Traditional Name: 2-benzo[e][1,3]benzothiazol-2-ylbenzoic acid Formula: C18H11NO2S MolecularWeight: 305.35044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C18H11NO2S/c20-18(21)14-8-4-3-7-13(14)17-19-16-12-6-2-1-5-11(12)9-10-15(16)22-17/h1-10H,(H,20,21)