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

Systemtic Name: ethyl 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: ethyl 4-[(5Z)-5-[(4-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(5Z)-5-[(4-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[(5Z)-4-keto-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]butyric acid ethyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCOC(=O)CCCN1C(=O)/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C16H16N2O5S2/c1-2-23-14(19)4-3-9-17-15(20)13(25-16(17)24)10-11-5-7-12(8-6-11)18(21)22/h5-8,10H,2-4,9H2,1H3/b13-10-