2-[5-[[3-ethoxy-4-(3-nitrophenyl)carbonyloxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[5-[[3-ethoxy-4-(3-nitrophenyl)carbonyloxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[3-ethoxy-4-(3-nitrobenzoyl)oxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-ethoxy-4-[(3-nitrophenyl)-oxomethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[3-ethoxy-4-(3-nitrobenzoyl)oxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[5-[3-ethoxy-4-(3-nitrobenzoyl)oxy-benzylidene]-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C21H16N2O8S2 MolecularWeight: 488.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O8S2/c1-2-30-16-8-12(9-17-19(26)22(11-18(24)25)21(32)33-17)6-7-15(16)31-20(27)13-4-3-5-14(10-13)23(28)29/h3-10H,2,11H2,1H3,(H,24,25)