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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S2/c17-12(18)2-1-7-15-13(19)11(23-14(15)22)8-9-3-5-10(6-4-9)16(20)21/h3-6,8H,1-2,7H2,(H,17,18)/p-1