(2-tert-butyl-1-pyridin-2-ylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl) hydrogen carbonate

Systemtic Name: (2-tert-butyl-1-pyridin-2-ylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl) hydrogen carbonate Openeye Name: [2-tert-butyl-1-(2-pyridylsulfanyl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl] hydrogen carbonate CAS Name: carbonic acid [2-tert-butyl-1-(2-pyridinylthio)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl] ester IUPAC Name: (2-tert-butyl-1-pyridin-2-ylsulfanyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl) hydrogen carbonate Traditional Name: carbonic acid [2-tert-butyl-1-(2-pyridylthio)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-yl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC2CCCCC2N1SC3=CC=CC=N3)OC(=O)O

Isomeric SMILES

CC(C)(C)C1(CC2CCCCC2N1SC3=CC=CC=N3)OC(=O)O

InChI

InChI=1S/C18H26N2O3S/c1-17(2,3)18(23-16(21)22)12-13-8-4-5-9-14(13)20(18)24-15-10-6-7-11-19-15/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,21,22)