(5E)-3-heptyl-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-heptyl-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-heptyl-5-[(8-methoxy-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-heptyl-5-[(8-methoxy-2H-1-benzopyran-3-yl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-heptyl-5-[(8-methoxy-2H-chromen-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-heptyl-5-[(8-methoxy-2H-chromen-3-yl)methylene]-2-thioxo-thiazolidin-4-one Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C(=CC2=CC3=C(C(=CC=C3)OC)OC2)SC1=S

Isomeric SMILES

CCCCCCCN1C(=O)/C(=C\C2=CC3=C(C(=CC=C3)OC)OC2)/SC1=S

InChI

InChI=1S/C21H25NO3S2/c1-3-4-5-6-7-11-22-20(23)18(27-21(22)26)13-15-12-16-9-8-10-17(24-2)19(16)25-14-15/h8-10,12-13H,3-7,11,14H2,1-2H3/b18-13+