2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethyl-butanedioic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-ethylbutanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-ethylbutanedioic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-ethyl-succinic acid Formula: C13H13NO4S2 MolecularWeight: 311.37662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCC(C(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C13H13NO4S2/c1-2-7(11(15)16)10(12(17)18)20-13-14-8-5-3-4-6-9(8)19-13/h3-7,10H,2H2,1H3,(H,15,16)(H,17,18)