2-[4-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-6-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-6-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-6-methoxy-phenoxy]acetic acid Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/2\C(=O)N=C(S2)N)Br)OCC(=O)O

InChI

InChI=1S/C13H11BrN2O5S/c1-20-8-3-6(4-9-12(19)16-13(15)22-9)2-7(14)11(8)21-5-10(17)18/h2-4H,5H2,1H3,(H,17,18)(H2,15,16,19)/b9-4+