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

Systemtic Name: 2-oxidanyl-2-(2-oxidanylbut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cycloheptane-1-carboxylic acid Openeye Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cycloheptanecarboxylic acid CAS Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-(5-thieno[2,3-b]pyridinyl)-1-cycloheptanecarboxylic acid IUPAC Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-ylcycloheptane-1-carboxylic acid Traditional Name: 2-hydroxy-2-(2-hydroxybut-3-enyl)-1-thieno[2,3-b]pyridin-5-yl-cycloheptanecarboxylic acid Formula: C19H23NO4S MolecularWeight: 361.45522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1(CCCCCC1(C2=CN=C3C(=C2)C=CS3)C(=O)O)O)O

Isomeric SMILES

C=CC(CC1(CCCCCC1(C2=CN=C3C(=C2)C=CS3)C(=O)O)O)O

InChI

InChI=1S/C19H23NO4S/c1-2-15(21)11-18(24)7-4-3-5-8-19(18,17(22)23)14-10-13-6-9-25-16(13)20-12-14/h2,6,9-10,12,15,21,24H,1,3-5,7-8,11H2,(H,22,23)