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

Systemtic Name: 4-[(5E)-5-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[(5E)-5-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[(5E)-5-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[(5E)-5-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[(5E)-5-[(2-carbethoxy-5-methoxy-1H-indol-3-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=C3C(=O)N(C(=S)S3)CCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O

InChI

InChI=1S/C20H20N2O6S2/c1-3-28-19(26)17-13(12-9-11(27-2)6-7-14(12)21-17)10-15-18(25)22(20(29)30-15)8-4-5-16(23)24/h6-7,9-10,21H,3-5,8H2,1-2H3,(H,23,24)/b15-10+