N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-ethoxy-pyridine-3-carboxamide

Systemtic Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-ethoxy-pyridine-3-carboxamide Openeye Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethyl]-2-ethoxy-pyridine-3-carboxamide CAS Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]-2-ethoxy-3-pyridinecarboxamide IUPAC Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-ethoxypyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]nicotinamide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NCCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C21H19N3O5S2/c1-2-27-19-14(4-3-7-23-19)18(25)22-8-9-24-20(26)17(31-21(24)30)11-13-5-6-15-16(10-13)29-12-28-15/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,25)/b17-11+