4-(1,3-benzodioxol-5-yl)-4-oxidanyl-6-pentyl-thieno[2,3-b]pyrrol-5-one

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-6-pentyl-thieno[2,3-b]pyrrol-5-one Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6-pentyl-thieno[2,3-b]pyrrol-5-one CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6-pentyl-5-thieno[2,3-b]pyrrolone IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6-pentylthieno[2,3-b]pyrrol-5-one Traditional Name: 6-amyl-4-(1,3-benzodioxol-5-yl)-4-hydroxy-thieno[2,3-b]pyrrol-5-one Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CS2)C(C1=O)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCCCCN1C2=C(C=CS2)C(C1=O)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H19NO4S/c1-2-3-4-8-19-16-13(7-9-24-16)18(21,17(19)20)12-5-6-14-15(10-12)23-11-22-14/h5-7,9-10,21H,2-4,8,11H2,1H3