4-[5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]butyrate Formula: C14H11N2O5S2- MolecularWeight: 351.37754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-]

InChI

InChI=1S/C14H12N2O5S2/c17-12(18)5-2-6-15-13(19)11(23-14(15)22)8-9-3-1-4-10(7-9)16(20)21/h1,3-4,7-8H,2,5-6H2,(H,17,18)/p-1