methyl (1R,5R,6S)-4-methoxy-1-methyl-7-oxidanylidene-6-phenylsulfanyl-spiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]-5-carboxylate

Systemtic Name: methyl (1R,5R,6S)-4-methoxy-1-methyl-7-oxidanylidene-6-phenylsulfanyl-spiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]-5-carboxylate Openeye Name: methyl (1R,5R,6S)-4-methoxy-1-methyl-7-oxo-6-phenylsulfanyl-spiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]-5-carboxylate CAS Name: (1R,5R,6S)-4-methoxy-1-methyl-7-oxo-6-(phenylthio)-5-spiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]carboxylic acid methyl ester IUPAC Name: methyl (1R,5R,6S)-4-methoxy-1-methyl-7-oxo-6-phenylsulfanylspiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]-5-carboxylate Traditional Name: (1R,5R,6S)-7-keto-4-methoxy-1-methyl-6-(phenylthio)spiro[bicyclo[3.2.1]oct-3-ene-8,1'-cyclopropane]-5-carboxylic acid methyl ester Formula: C20H22O4S MolecularWeight: 358.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C(C(C13CC3)(C(C2=O)SC4=CC=CC=C4)C(=O)OC)OC

Isomeric SMILES

C[C@@]12CC=C([C@@](C13CC3)([C@@H](C2=O)SC4=CC=CC=C4)C(=O)OC)OC

InChI

InChI=1S/C20H22O4S/c1-18-10-9-14(23-2)20(17(22)24-3,19(18)11-12-19)16(15(18)21)25-13-7-5-4-6-8-13/h4-9,16H,10-12H2,1-3H3/t16-,18+,20-/m1/s1