methyl (2R,3aR,7aS)-2,5-dimethyl-7-oxidanylidene-7a-(phenylsulfonyl)-1,3,3a,4-tetrahydroindene-2-carboxylate

Systemtic Name: methyl (2R,3aR,7aS)-2,5-dimethyl-7-oxidanylidene-7a-(phenylsulfonyl)-1,3,3a,4-tetrahydroindene-2-carboxylate Openeye Name: methyl (2R,3aR,7aS)-7a-(benzenesulfonyl)-2,5-dimethyl-7-oxo-1,3,3a,4-tetrahydroindene-2-carboxylate CAS Name: (2R,3aR,7aS)-7a-(benzenesulfonyl)-2,5-dimethyl-7-oxo-1,3,3a,4-tetrahydroindene-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3aR,7aS)-7a-(benzenesulfonyl)-2,5-dimethyl-7-oxo-1,3,3a,4-tetrahydroindene-2-carboxylate Traditional Name: (2R,3aR,7aS)-7a-besyl-7-keto-2,5-dimethyl-1,3,3a,4-tetrahydroindene-2-carboxylic acid methyl ester Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2(CC(CC2C1)(C)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)[C@@]2(C[C@](C[C@H]2C1)(C)C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22O5S/c1-13-9-14-11-18(2,17(21)24-3)12-19(14,16(20)10-13)25(22,23)15-7-5-4-6-8-15/h4-8,10,14H,9,11-12H2,1-3H3/t14-,18-,19+/m1/s1