3-azanyl-6-(3,3-dimethyl-4-oxidanyl-cyclohexyl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-(3,3-dimethyl-4-oxidanyl-cyclohexyl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-(4-hydroxy-3,3-dimethyl-cyclohexyl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-(4-hydroxy-3,3-dimethylcyclohexyl)-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-(4-hydroxy-3,3-dimethylcyclohexyl)-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-(4-hydroxy-3,3-dimethyl-cyclohexyl)-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)C3CCC(C(C3)(C)C)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)C3CCC(C(C3)(C)C)O

InChI

InChI=1S/C19H26N2O3S/c1-4-5-10-8-12(11-6-7-13(22)19(2,3)9-11)21-17-14(10)15(20)16(25-17)18(23)24/h8,11,13,22H,4-7,9,20H2,1-3H3,(H,23,24)