2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(6-nitro-1,3-benzothiazol-2-yl)thio]methyl]succinic acid Formula: C12H10N2O6S2 MolecularWeight: 342.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H10N2O6S2/c15-10(16)3-6(11(17)18)5-21-12-13-8-2-1-7(14(19)20)4-9(8)22-12/h1-2,4,6H,3,5H2,(H,15,16)(H,17,18)