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

Systemtic Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Openeye Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic acid CAS Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]propanoic acid IUPAC Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid Traditional Name: 3-[(5E)-5-[(2-carbomethoxy-1H-indol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionic acid Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S2/c1-24-16(23)14-10(9-4-2-3-5-11(9)18-14)8-12-15(22)19(17(25)26-12)7-6-13(20)21/h2-5,8,18H,6-7H2,1H3,(H,20,21)/b12-8+