tert-butyl 6-methylsulfanyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate

Systemtic Name: tert-butyl 6-methylsulfanyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate Openeye Name: tert-butyl 6-methylsulfanyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate CAS Name: 6-(methylthio)-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-methylsulfanyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate Traditional Name: 6-(methylthio)-1,3,4,5-tetrahydropyrid[4,3-b]indole-2-carboxylic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C3=C(N2)C(=CC=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C3=C(N2)C(=CC=C3)SC

InChI

InChI=1S/C17H22N2O2S/c1-17(2,3)21-16(20)19-9-8-13-12(10-19)11-6-5-7-14(22-4)15(11)18-13/h5-7,18H,8-10H2,1-4H3