[1-(1,3-benzothiazol-2-ylsulfanyl)-1-carboxyoxy-3-oxidanyl-propan-2-yl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-1-carboxyoxy-3-oxidanyl-propan-2-yl] hydrogen carbonate Openeye Name: [2-(1,3-benzothiazol-2-ylsulfanyl)-2-carboxyoxy-1-(hydroxymethyl)ethyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-1-carboxyoxy-3-hydroxypropan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-1-carboxyoxy-3-hydroxypropan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-2-carboxyoxy-3-hydroxy-propyl] ester Formula: C12H11NO7S2 MolecularWeight: 345.34824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO7S2/c14-5-7(19-11(15)16)9(20-12(17)18)22-10-13-6-3-1-2-4-8(6)21-10/h1-4,7,9,14H,5H2,(H,15,16)(H,17,18)