N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]ethyl]-2-methoxy-5-nitro-benzamide CAS Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[2-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[2-[(5E)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]ethyl]-2-methoxy-5-nitro-benzamide Formula: C21H17N3O7S2 MolecularWeight: 487.50558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCCN2C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C21H17N3O7S2/c1-29-15-5-3-13(24(27)28)10-14(15)19(25)22-6-7-23-20(26)18(33-21(23)32)9-12-2-4-16-17(8-12)31-11-30-16/h2-5,8-10H,6-7,11H2,1H3,(H,22,25)/b18-9+