[5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate

Systemtic Name: [5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate Openeye Name: [5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate CAS Name: carbonic acid [5-(1-adamantyl)-3-(3-mercapto-1-oxopropyl)-2H-1,3,4-thiadiazol-2-yl] ester IUPAC Name: [5-(1-adamantyl)-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazol-2-yl] hydrogen carbonate Traditional Name: carbonic acid [5-(1-adamantyl)-3-(3-mercaptopropanoyl)-2H-1,3,4-thiadiazol-2-yl] ester Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C(S4)OC(=O)O)C(=O)CCS

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C(S4)OC(=O)O)C(=O)CCS

InChI

InChI=1S/C16H22N2O4S2/c19-12(1-2-23)18-14(22-15(20)21)24-13(17-18)16-6-9-3-10(7-16)5-11(4-9)8-16/h9-11,14,23H,1-8H2,(H,20,21)