3-[(5E)-5-[1-(3-nitrophenyl)ethylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Systemtic Name: 3-[(5E)-5-[1-(3-nitrophenyl)ethylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Openeye Name: 3-[(5E)-5-[1-(3-nitrophenyl)ethylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoate CAS Name: 3-[(5E)-5-[1-(3-nitrophenyl)ethylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoate IUPAC Name: 3-[(5E)-5-[1-(3-nitrophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate Traditional Name: 3-[(5E)-4-keto-5-[1-(3-nitrophenyl)ethylidene]-2-thioxo-thiazolidin-3-yl]propionate Formula: C14H11N2O5S2- MolecularWeight: 351.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=O)N(C(=S)S1)CCC(=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\1/C(=O)N(C(=S)S1)CCC(=O)[O-])/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O5S2/c1-8(9-3-2-4-10(7-9)16(20)21)12-13(19)15(14(22)23-12)6-5-11(17)18/h2-4,7H,5-6H2,1H3,(H,17,18)/p-1/b12-8+