2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[(5E)-5-[(3-nitrophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[(5E)-5-[(3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[(5E)-4-keto-5-(3-nitrobenzylidene)-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C14H10N2O7S2 MolecularWeight: 382.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H10N2O7S2/c17-11(18)6-9(13(20)21)15-12(19)10(25-14(15)24)5-7-2-1-3-8(4-7)16(22)23/h1-5,9H,6H2,(H,17,18)(H,20,21)/b10-5+