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

Systemtic Name: 4-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-[(2-carbomethoxy-1H-indol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C18H16N2O5S2 MolecularWeight: 404.46004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N(C(=S)S3)CCCC(=O)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O

InChI

InChI=1S/C18H16N2O5S2/c1-25-17(24)15-11(10-5-2-3-6-12(10)19-15)9-13-16(23)20(18(26)27-13)8-4-7-14(21)22/h2-3,5-6,9,19H,4,7-8H2,1H3,(H,21,22)/b13-9+