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

Systemtic Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[(5E)-5-[(2-methoxycarbonyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[(5E)-5-[(2-carbomethoxy-1H-indol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C21H14N2O5S2 MolecularWeight: 438.47626

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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)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H14N2O5S2/c1-28-20(27)17-14(13-7-2-3-8-15(13)22-17)10-16-18(24)23(21(29)30-16)12-6-4-5-11(9-12)19(25)26/h2-10,22H,1H3,(H,25,26)/b16-10+