tert-butyl 3-(2-methylsulfonylethyl)-2-oxidanylidene-3-phenyl-indole-1-carboxylate

Systemtic Name: tert-butyl 3-(2-methylsulfonylethyl)-2-oxidanylidene-3-phenyl-indole-1-carboxylate Openeye Name: tert-butyl 3-(2-methylsulfonylethyl)-2-oxo-3-phenyl-indoline-1-carboxylate CAS Name: 3-(2-methylsulfonylethyl)-2-oxo-3-phenyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-methylsulfonylethyl)-2-oxo-3-phenylindole-1-carboxylate Traditional Name: 2-keto-3-(2-mesylethyl)-3-phenyl-indoline-1-carboxylic acid tert-butyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CCS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CCS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO5S/c1-21(2,3)28-20(25)23-18-13-9-8-12-17(18)22(19(23)24,14-15-29(4,26)27)16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3