tert-butyl 4-(acetyloxymethyl)-8-methoxy-7-oxidanylidene-2-sulfanylidene-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylate

Systemtic Name: tert-butyl 4-(acetyloxymethyl)-8-methoxy-7-oxidanylidene-2-sulfanylidene-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylate Openeye Name: tert-butyl 4-(acetoxymethyl)-8-methoxy-7-oxo-2-thioxo-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylate CAS Name: 4-(acetyloxymethyl)-8-methoxy-7-oxo-2-sulfanylidene-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(acetyloxymethyl)-8-methoxy-7-oxo-2-sulfanylidene-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylate Traditional Name: 4-(acetoxymethyl)-7-keto-8-methoxy-2-thioxo-5-azoniabicyclo[4.2.0]oct-4-ene-5-carboxylic acid tert-butyl ester Formula: C16H22NO6S+ MolecularWeight: 356.41398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=[N+](C2C(C(C2=O)OC)C(=S)C1)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCC1=[N+](C2C(C(C2=O)OC)C(=S)C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H22NO6S/c1-8(18)22-7-9-6-10(24)11-12(13(19)14(11)21-5)17(9)15(20)23-16(2,3)4/h11-12,14H,6-7H2,1-5H3/q+1