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

Systemtic Name: 4-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-(4-carbomethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O

InChI

InChI=1S/C16H15NO5S2/c1-22-15(21)11-6-4-10(5-7-11)9-12-14(20)17(16(23)24-12)8-2-3-13(18)19/h4-7,9H,2-3,8H2,1H3,(H,18,19)/b12-9+