[1-(1,3-benzothiazol-2-ylsulfanyl)-6-carboxyoxy-hexyl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-6-carboxyoxy-hexyl] hydrogen carbonate Openeye Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-6-carboxyoxy-hexyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-6-carboxyoxyhexyl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-6-carboxyoxyhexyl] hydrogen carbonate Traditional Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-6-carboxyoxy-hexyl] ester Formula: C15H17NO6S2 MolecularWeight: 371.42858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO6S2/c17-14(18)21-9-5-1-2-8-12(22-15(19)20)24-13-16-10-6-3-4-7-11(10)23-13/h3-4,6-7,12H,1-2,5,8-9H2,(H,17,18)(H,19,20)