tert-butyl 2-carbonocyanidoyl-6-[(4-methylphenyl)sulfonyloxymethyl]-3,4-dihydro-2H-quinoline-1-carboxylate

Systemtic Name: tert-butyl 2-carbonocyanidoyl-6-[(4-methylphenyl)sulfonyloxymethyl]-3,4-dihydro-2H-quinoline-1-carboxylate Openeye Name: tert-butyl 2-carbonocyanidoyl-6-(p-tolylsulfonyloxymethyl)-3,4-dihydro-2H-quinoline-1-carboxylate CAS Name: 2-carbonocyanidoyl-6-[(4-methylphenyl)sulfonyloxymethyl]-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-carbonocyanidoyl-6-[(4-methylphenyl)sulfonyloxymethyl]-3,4-dihydro-2H-quinoline-1-carboxylate Traditional Name: 2-carbonocyanidoyl-6-(tosyloxymethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid tert-butyl ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=C(C=C2)N(C(CC3)C(=O)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC3=C(C=C2)N(C(CC3)C(=O)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H26N2O6S/c1-16-5-9-19(10-6-16)33(29,30)31-15-17-7-11-20-18(13-17)8-12-21(22(27)14-25)26(20)23(28)32-24(2,3)4/h5-7,9-11,13,21H,8,12,15H2,1-4H3