methyl (1S,5R)-3-oxidanylidene-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-oxidanylidene-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1S,5R)-1-isopropyl-3-oxo-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1S,5R)-3-oxo-5-[(phenylthio)methyl]-1-propan-2-yl-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-oxo-5-(phenylsulfanylmethyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1S,5R)-1-isopropyl-3-keto-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C19H24O4S MolecularWeight: 348.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C12CCC(O1)(C(C(=O)C2)C(=O)OC)CSC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@]12CC[C@@](O1)(C(C(=O)C2)C(=O)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C19H24O4S/c1-13(2)18-9-10-19(23-18,12-24-14-7-5-4-6-8-14)16(15(20)11-18)17(21)22-3/h4-8,13,16H,9-12H2,1-3H3/t16?,18-,19-/m0/s1