propyl 2-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoate

Systemtic Name: propyl 2-[(5Z)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenyl-ethanoate Openeye Name: propyl 2-[(5Z)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetate CAS Name: 2-[(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid propyl ester IUPAC Name: propyl 2-[(5Z)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetate Traditional Name: 2-[(5Z)-5-(4-hydroxy-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]-2-phenyl-acetic acid propyl ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O6S2/c1-2-10-29-20(26)18(14-6-4-3-5-7-14)22-19(25)17(31-21(22)30)12-13-8-9-16(24)15(11-13)23(27)28/h3-9,11-12,18,24H,2,10H2,1H3/b17-12-