tert-butyl 6-(2-phenylsulfanylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 6-(2-phenylsulfanylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 6-(2-phenylsulfanylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 6-[2-(phenylthio)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-phenylsulfanylethyl)-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 6-[2-(phenylthio)ethyl]-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCSC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)N(C3=CC=CC=C23)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O2S/c1-25(2,3)29-24(28)26-15-13-21-20-11-7-8-12-22(20)27(23(21)14-16-26)17-18-30-19-9-5-4-6-10-19/h4-12H,13-18H2,1-3H3