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

Systemtic Name: methyl (1R,5S)-1-methyl-3-oxidanylidene-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-2-carboxylate Openeye Name: methyl (1R,5S)-1-methyl-3-oxo-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-2-carboxylate CAS Name: (1R,5S)-1-methyl-3-oxo-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,5S)-1-methyl-3-oxo-5-(phenylsulfanylmethyl)-8-oxabicyclo[3.2.1]octane-2-carboxylate Traditional Name: (1R,5S)-3-keto-1-methyl-5-[(phenylthio)methyl]-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(O1)(CC(=O)C2C(=O)OC)CSC3=CC=CC=C3

Isomeric SMILES

C[C@]12CC[C@](O1)(CC(=O)C2C(=O)OC)CSC3=CC=CC=C3

InChI

InChI=1S/C17H20O4S/c1-16-8-9-17(21-16,10-13(18)14(16)15(19)20-2)11-22-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3/t14?,16-,17+/m1/s1