2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C12H8N2O4S2 MolecularWeight: 308.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)N=C(S2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C#N)N=C(S2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H8N2O4S2/c13-5-6-1-2-8-7(3-6)14-12(19-8)20-9(11(17)18)4-10(15)16/h1-3,9H,4H2,(H,15,16)(H,17,18)