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

Systemtic Name: 2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(5-carboxy-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(5-carboxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(5-carboxy-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C12H9NO6S2 MolecularWeight: 327.33296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO6S2/c14-9(15)4-8(11(18)19)21-12-13-6-3-5(10(16)17)1-2-7(6)20-12/h1-3,8H,4H2,(H,14,15)(H,16,17)(H,18,19)