2-[(7-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(7-bromanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(7-bromo-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C11H8BrNO4S2 MolecularWeight: 362.21952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)Br)SC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C1)Br)SC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H8BrNO4S2/c12-5-2-1-3-6-9(5)19-11(13-6)18-7(10(16)17)4-8(14)15/h1-3,7H,4H2,(H,14,15)(H,16,17)