tert-butyl 5-(1-methoxy-1-oxidanylidene-6-trimethylsilyl-hex-5-yn-2-yl)sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate

Systemtic Name: tert-butyl 5-(1-methoxy-1-oxidanylidene-6-trimethylsilyl-hex-5-yn-2-yl)sulfanyl-1-(phenylmethyl)-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Openeye Name: tert-butyl 1-benzyl-5-(1-methoxycarbonyl-5-trimethylsilyl-pent-4-ynyl)sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate CAS Name: 5-[(1-methoxy-1-oxo-6-trimethylsilylhex-5-yn-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-1-oxo-6-trimethylsilylhex-5-yn-2-yl)sulfanyl-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylate Traditional Name: 1-benzyl-5-[(1-carbomethoxy-5-trimethylsilyl-pent-4-ynyl)thio]-1-pyrrolin-1-ium-2-carboxylic acid tert-butyl ester Formula: C26H38NO4SSi+ MolecularWeight: 488.73472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC(=[N+]1CC2=CC=CC=C2)SC(CCC#C[Si](C)(C)C)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CCC(=[N+]1CC2=CC=CC=C2)SC(CCC#C[Si](C)(C)C)C(=O)OC

InChI

InChI=1S/C26H38NO4SSi/c1-26(2,3)31-24(28)21-16-17-23(27(21)19-20-13-9-8-10-14-20)32-22(25(29)30-4)15-11-12-18-33(5,6)7/h8-10,13-14,21-22H,11,15-17,19H2,1-7H3/q+1