(1S,6S)-6-[(S)-(2,5-dimethylthiophen-3-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(S)-(2,5-dimethylthiophen-3-yl)-oxidanyl-methyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(S)-(2,5-dimethyl-3-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[(S)-(2,5-dimethyl-3-thiophenyl)-hydroxymethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(S)-(2,5-dimethylthiophen-3-yl)-hydroxymethyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(S)-(2,5-dimethyl-3-thienyl)-hydroxy-methyl]cyclohex-3-ene-1-carboxylate Formula: C14H17O3S- MolecularWeight: 265.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(C2CC=CCC2C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3S/c1-8-7-12(9(2)18-8)13(15)10-5-3-4-6-11(10)14(16)17/h3-4,7,10-11,13,15H,5-6H2,1-2H3,(H,16,17)/p-1/t10-,11-,13-/m0/s1