2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C11H10N2O4S2 MolecularWeight: 298.3381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C11H10N2O4S2/c12-5-1-2-6-7(3-5)18-11(13-6)19-8(10(16)17)4-9(14)15/h1-3,8H,4,12H2,(H,14,15)(H,16,17)