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

Systemtic Name: 4-methyl-3-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: 4-methyl-3-[(5Z)-5-[(2-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-methyl-3-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoate IUPAC Name: 4-methyl-3-[(5Z)-5-[(2-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 3-[(5Z)-4-keto-5-(2-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoate Formula: C18H11N2O5S2- MolecularWeight: 399.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])SC2=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)/C(=C/C3=CC=CC=C3[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C18H12N2O5S2/c1-10-6-7-12(17(22)23)8-14(10)19-16(21)15(27-18(19)26)9-11-4-2-3-5-13(11)20(24)25/h2-9H,1H3,(H,22,23)/p-1/b15-9-