3-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromophenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-phenoxy]methyl]benzoic acid Formula: C18H13BrN2O4S MolecularWeight: 433.27582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)COC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br)C(=O)O

InChI

InChI=1S/C18H13BrN2O4S/c19-13-7-10(8-15-16(22)21-18(20)26-15)4-5-14(13)25-9-11-2-1-3-12(6-11)17(23)24/h1-8H,9H2,(H,23,24)(H2,20,21,22)