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

Systemtic Name: 2-[5-[[3-methoxy-4-(4-nitrophenyl)carbonyloxy-phenyl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[5-[[3-methoxy-4-(4-nitrobenzoyl)oxy-phenyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[5-[[3-methoxy-4-[(4-nitrophenyl)-oxomethoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[5-[[3-methoxy-4-(4-nitrobenzoyl)oxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[4-keto-5-[3-methoxy-4-(4-nitrobenzoyl)oxy-benzylidene]-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C20H14N2O8S2 MolecularWeight: 474.46376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O8S2/c1-29-15-8-11(9-16-18(25)21(10-17(23)24)20(31)32-16)2-7-14(15)30-19(26)12-3-5-13(6-4-12)22(27)28/h2-9H,10H2,1H3,(H,23,24)