tert-butyl 7-methylsulfanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate

Systemtic Name: tert-butyl 7-methylsulfanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate Openeye Name: tert-butyl 7-methylsulfanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate CAS Name: 7-(methylthio)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-methylsulfanyl-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indole-2-carboxylate Traditional Name: 7-(methylthio)-3,4,10,10a-tetrahydro-1H-pyrazin[1,2-a]indole-2-carboxylic acid tert-butyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN2C(C1)CC3=C2C=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN2C(C1)CC3=C2C=C(C=C3)SC

InChI

InChI=1S/C17H24N2O2S/c1-17(2,3)21-16(20)18-7-8-19-13(11-18)9-12-5-6-14(22-4)10-15(12)19/h5-6,10,13H,7-9,11H2,1-4H3