N-[2-(1H-indol-3-yl)ethyl]-2-(methoxycarbonylamino)-3-methylsulfanyl-propan-1-imine oxide

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methoxycarbonylamino)-3-methylsulfanyl-propan-1-imine oxide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methoxycarbonylamino)-3-methylsulfanyl-propan-1-imine oxide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methoxycarbonylamino)-3-(methylthio)-1-propanimine oxide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-(methoxycarbonylamino)-3-methylsulfanylpropan-1-imine oxide Traditional Name: 2-(carbomethoxyamino)-N-[2-(1H-indol-3-yl)ethyl]-3-(methylthio)propan-1-imine oxide Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(CSC)C=[N+](CCC1=CNC2=CC=CC=C21)[O-]

Isomeric SMILES

COC(=O)NC(CSC)/C=[N+](/CCC1=CNC2=CC=CC=C21)\[O-]

InChI

InChI=1S/C16H21N3O3S/c1-22-16(20)18-13(11-23-2)10-19(21)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-10,13,17H,7-8,11H2,1-2H3,(H,18,20)/b19-10-