2-(1,3-benzothiazol-2-ylcarbothioyl)butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylcarbothioyl)butanedioic acid Openeye Name: 2-(1,3-benzothiazole-2-carbothioyl)butanedioic acid CAS Name: 2-[1,3-benzothiazol-2-yl(sulfanylidene)methyl]butanedioic acid IUPAC Name: 2-(1,3-benzothiazole-2-carbothioyl)butanedioic acid Traditional Name: 2-(1,3-benzothiazole-2-carbothioyl)succinic acid Formula: C12H9NO4S2 MolecularWeight: 295.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO4S2/c14-9(15)5-6(12(16)17)10(18)11-13-7-3-1-2-4-8(7)19-11/h1-4,6H,5H2,(H,14,15)(H,16,17)