[1-(1,3-benzothiazol-2-ylsulfanyl)-3-carboxyoxy-propyl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3-carboxyoxy-propyl] hydrogen carbonate Openeye Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3-carboxyoxy-propyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-3-carboxyoxypropyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3-carboxyoxypropyl] hydrogen carbonate Traditional Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-3-carboxyoxy-propyl] ester Formula: C12H11NO6S2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(CCOC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(CCOC(=O)O)OC(=O)O

InChI

InChI=1S/C12H11NO6S2/c14-11(15)18-6-5-9(19-12(16)17)21-10-13-7-3-1-2-4-8(7)20-10/h1-4,9H,5-6H2,(H,14,15)(H,16,17)