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

Systemtic Name: methyl 4-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 4-[(5E)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate CAS Name: 4-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5E)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[(5E)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]benzoic acid methyl ester Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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