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

Systemtic Name: diethyl (1S,2R,3R,4S)-4-methyl-2-(5-methylthiophen-2-yl)-4-oxidanyl-6-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-(5-methyl-2-thienyl)-6-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-(5-methyl-2-thiophenyl)-6-oxocyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-2-(5-methylthiophen-2-yl)-6-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-4-hydroxy-6-keto-4-methyl-2-(5-methyl-2-thienyl)cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C18H24O6S MolecularWeight: 368.44456

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24O6S/c1-5-23-16(20)13-11(19)9-18(4,22)15(17(21)24-6-2)14(13)12-8-7-10(3)25-12/h7-8,13-15,22H,5-6,9H2,1-4H3/t13-,14+,15+,18+/m1/s1