1-cyanoethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: 1-cyanoethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: 1-cyanoethyl 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid 1-cyanoethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C#N)OC(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C

InChI

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