3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-1-amine; 2,4-disulfonylpentanedioic acid

Systemtic Name: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-1-amine; 2,4-disulfonylpentanedioic acid Openeye Name: 3-(4,5-dihydrothiazol-2-ylsulfanyl)propan-1-amine; 2,4-disulfonylpentanedioic acid CAS Name: 3-(4,5-dihydrothiazol-2-ylthio)-1-propanamine; 2,4-disulfonylpentanedioic acid IUPAC Name: 3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propan-1-amine; 2,4-disulfonylpentanedioic acid Traditional Name: 2,4-disulfonylglutaric acid; 3-(2-thiazolin-2-ylthio)propylamine Formula: C11H16N2O8S4 MolecularWeight: 432.51334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCCCN.C(C(=S(=O)=O)C(=O)O)C(=S(=O)=O)C(=O)O

Isomeric SMILES

C1CSC(=N1)SCCCN.C(C(=S(=O)=O)C(=O)O)C(=S(=O)=O)C(=O)O

InChI

InChI=1S/C6H12N2S2.C5H4O8S2/c7-2-1-4-9-6-8-3-5-10-6;6-4(7)2(14(10)11)1-3(5(8)9)15(12)13/h1-5,7H2;1H2,(H,6,7)(H,8,9)