3,5-bis(oxidanyl)-2-propan-2-yl-2-thieno[2,3-b]pyridin-5-yl-hept-6-enoic acid

Systemtic Name: 3,5-bis(oxidanyl)-2-propan-2-yl-2-thieno[2,3-b]pyridin-5-yl-hept-6-enoic acid Openeye Name: 3,5-dihydroxy-2-isopropyl-2-thieno[2,3-b]pyridin-5-yl-hept-6-enoic acid CAS Name: 3,5-dihydroxy-2-propan-2-yl-2-(5-thieno[2,3-b]pyridinyl)-6-heptenoic acid IUPAC Name: 3,5-dihydroxy-2-propan-2-yl-2-thieno[2,3-b]pyridin-5-ylhept-6-enoic acid Traditional Name: 3,5-dihydroxy-2-isopropyl-2-thieno[2,3-b]pyridin-5-yl-hept-6-enoic acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CN=C2C(=C1)C=CS2)(C(CC(C=C)O)O)C(=O)O

Isomeric SMILES

CC(C)C(C1=CN=C2C(=C1)C=CS2)(C(CC(C=C)O)O)C(=O)O

InChI

InChI=1S/C17H21NO4S/c1-4-13(19)8-14(20)17(10(2)3,16(21)22)12-7-11-5-6-23-15(11)18-9-12/h4-7,9-10,13-14,19-20H,1,8H2,2-3H3,(H,21,22)