(2E)-5-[[2,6-bis(bromanyl)-4-cyano-phenoxy]methyl]-2-(4,5-dideuterio-6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: (2E)-5-[[2,6-bis(bromanyl)-4-cyano-phenoxy]methyl]-2-(4,5-dideuterio-6-oxidanylidene-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid Openeye Name: (2E)-5-[(2,6-dibromo-4-cyano-phenoxy)methyl]-2-(4,5-dideuterio-6-oxo-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid CAS Name: (2E)-5-[(2,6-dibromo-4-cyanophenoxy)methyl]-2-(4,5-dideuterio-6-oxo-1,3-benzothiazol-2-ylidene)-4-thiazolidinecarboxylic acid IUPAC Name: (2E)-5-[(2,6-dibromo-4-cyanophenoxy)methyl]-2-(4,5-dideuterio-6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylic acid Traditional Name: (2E)-5-[(2,6-dibromo-4-cyano-phenoxy)methyl]-2-(4,5-dideuterio-6-keto-1,3-benzothiazol-2-ylidene)thiazolidine-4-carboxylic acid Formula: C19H11Br2N3O4S2 MolecularWeight: 571.258664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C3NC(C(S3)COC4=C(C=C(C=C4Br)C#N)Br)C(=O)O)SC2=CC1=O

Isomeric SMILES

[2H]C1=C(C2=N/C(=C\3/NC(C(S3)COC4=C(C=C(C=C4Br)C#N)Br)C(=O)O)/SC2=CC1=O)[2H]

InChI

InChI=1S/C19H11Br2N3O4S2/c20-10-3-8(6-22)4-11(21)16(10)28-7-14-15(19(26)27)24-18(30-14)17-23-12-2-1-9(25)5-13(12)29-17/h1-5,14-15,24H,7H2,(H,26,27)/b18-17+/i1D,2D