(1S,2S)-2-[(R)-(2,5-dimethylthiophen-3-yl)-oxidanyl-methyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(R)-(2,5-dimethylthiophen-3-yl)-oxidanyl-methyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(R)-(2,5-dimethyl-3-thienyl)-hydroxy-methyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(R)-(2,5-dimethyl-3-thiophenyl)-hydroxymethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(R)-(2,5-dimethylthiophen-3-yl)-hydroxymethyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(R)-(2,5-dimethyl-3-thienyl)-hydroxy-methyl]cyclohexanecarboxylate Formula: C14H19O3S- MolecularWeight: 267.36386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C2CCCCC2C(=O)[O-])O

Isomeric SMILES

CC1=CC(=C(S1)C)[C@@H]([C@H]2CCCC[C@@H]2C(=O)[O-])O

InChI

InChI=1S/C14H20O3S/c1-8-7-12(9(2)18-8)13(15)10-5-3-4-6-11(10)14(16)17/h7,10-11,13,15H,3-6H2,1-2H3,(H,16,17)/p-1/t10-,11-,13+/m0/s1