diethyl (1S,2R,3R,4S)-2-(5-bromanylthiophen-2-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2R,3R,4S)-2-(5-bromanylthiophen-2-yl)-4-methyl-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-2-(5-bromo-2-thienyl)-4-hydroxy-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-2-(5-bromo-2-thiophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-2-(5-bromothiophen-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-2-(5-bromo-2-thienyl)-4-hydroxy-6-keto-4-methyl-cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C17H21BrO6S MolecularWeight: 433.31404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC=C(S2)Br

InChI

InChI=1S/C17H21BrO6S/c1-4-23-15(20)12-9(19)8-17(3,22)14(16(21)24-5-2)13(12)10-6-7-11(18)25-10/h6-7,12-14,22H,4-5,8H2,1-3H3/t12-,13+,14+,17+/m1/s1