tert-butyl 5-(6-methyl-2-oxidanylidene-oxan-3-yl)sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate

Systemtic Name: tert-butyl 5-(6-methyl-2-oxidanylidene-oxan-3-yl)sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Openeye Name: tert-butyl 1-benzyl-5-(6-methyl-2-oxo-tetrahydropyran-3-yl)sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate CAS Name: 5-[(6-methyl-2-oxo-3-oxanyl)thio]-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-5-(6-methyl-2-oxooxan-3-yl)sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Traditional Name: 1-benzyl-5-[(2-keto-6-methyl-tetrahydropyran-3-yl)thio]-1-pyrrolin-1-ium-2-carboxylic acid tert-butyl ester Formula: C22H30NO4S+ MolecularWeight: 404.5429

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)O1)SC2=[N+](C(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1CCC(C(=O)O1)SC2=[N+](C(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H30NO4S/c1-15-10-12-18(21(25)26-15)28-19-13-11-17(20(24)27-22(2,3)4)23(19)14-16-8-6-5-7-9-16/h5-9,15,17-18H,10-14H2,1-4H3/q+1