3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid

Systemtic Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid Openeye Name: 3-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoic acid CAS Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid IUPAC Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoic acid Traditional Name: 3-[(2-thioxo-1,3-benzothiazol-3-yl)methylamino]benzoic acid Formula: C15H12N2O2S2 MolecularWeight: 316.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H12N2O2S2/c18-14(19)10-4-3-5-11(8-10)16-9-17-12-6-1-2-7-13(12)21-15(17)20/h1-8,16H,9H2,(H,18,19)