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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCCCOC(=O)CN1C(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C16H16N2O5S2/c1-2-3-7-23-14(19)10-17-15(20)13(25-16(17)24)9-11-5-4-6-12(8-11)18(21)22/h4-6,8-9H,2-3,7,10H2,1H3/b13-9-