[(3S)-3-(cyanomethyl)-5-methoxy-2-oxidanylidene-1H-indol-3-yl]methyl methanesulfonate

Systemtic Name: [(3S)-3-(cyanomethyl)-5-methoxy-2-oxidanylidene-1H-indol-3-yl]methyl methanesulfonate Openeye Name: [(3S)-3-(cyanomethyl)-5-methoxy-2-oxo-indolin-3-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [(3S)-3-(cyanomethyl)-5-methoxy-2-oxo-1H-indol-3-yl]methyl ester IUPAC Name: [(3S)-3-(cyanomethyl)-5-methoxy-2-oxo-1H-indol-3-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [(3S)-3-(cyanomethyl)-2-keto-5-methoxy-indolin-3-yl]methyl ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C2(CC#N)COS(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)[C@]2(CC#N)COS(=O)(=O)C

InChI

InChI=1S/C13H14N2O5S/c1-19-9-3-4-11-10(7-9)13(5-6-14,12(16)15-11)8-20-21(2,17)18/h3-4,7H,5,8H2,1-2H3,(H,15,16)/t13-/m1/s1