2-oxidanyl-2-(2-oxidanylbut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cyclohexane-1-carboxylic acid

Systemtic Name: 2-oxidanyl-2-(2-oxidanylbut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cyclohexane-1-carboxylic acid Openeye Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cyclohexanecarboxylic acid CAS Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-(5-thieno[2,3-b]pyridinyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-ylcyclohexane-1-carboxylic acid Traditional Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cyclohexanecarboxylic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1(CCCCC1(C2=CN=C3C(=C2)C=CS3)C(=O)O)O)O

Isomeric SMILES

C=CC(CC1(CCCCC1(C2=CN=C3C(=C2)C=CS3)C(=O)O)O)O

InChI

InChI=1S/C18H21NO4S/c1-2-14(20)10-17(23)6-3-4-7-18(17,16(21)22)13-9-12-5-8-24-15(12)19-11-13/h2,5,8-9,11,14,20,23H,1,3-4,6-7,10H2,(H,21,22)