tert-butyl 5-[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxidanylidene-butan-2-yl]sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate

Systemtic Name: tert-butyl 5-[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxidanylidene-butan-2-yl]sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Openeye Name: tert-butyl 1-benzyl-5-[1-methoxycarbonyl-3-(2-methyl-1,3-dioxolan-2-yl)propyl]sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate CAS Name: 5-[[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxobutan-2-yl]thio]-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-benzyl-5-[1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)-1-oxobutan-2-yl]sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Traditional Name: 1-benzyl-5-[[1-carbomethoxy-3-(2-methyl-1,3-dioxolan-2-yl)propyl]thio]-1-pyrrolin-1-ium-2-carboxylic acid tert-butyl ester Formula: C25H36NO6S+ MolecularWeight: 478.62144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)CCC(C(=O)OC)SC2=[N+](C(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1(OCCO1)CCC(C(=O)OC)SC2=[N+](C(CC2)C(=O)OC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H36NO6S/c1-24(2,3)32-22(27)19-11-12-21(26(19)17-18-9-7-6-8-10-18)33-20(23(28)29-5)13-14-25(4)30-15-16-31-25/h6-10,19-20H,11-17H2,1-5H3/q+1