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

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)methyl]butanedioic acid Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)methyl]butanedioic acid CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)methyl]butanedioic acid IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)methyl]butanedioic acid Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)methyl]succinic acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c13-7-1-2-8-9(5-7)19-10(14-8)3-6(12(17)18)4-11(15)16/h1-2,5-6H,3-4,13H2,(H,15,16)(H,17,18)