cyanomethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: cyanomethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: cyanomethyl 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid cyanomethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC#N

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC#N

InChI

InChI=1S/C13H14N2O4S/c1-9-7-11-8-10(13(16)19-6-5-14)3-4-12(11)15(9)20(2,17)18/h3-4,8-9H,6-7H2,1-2H3