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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)N=C(S3)N)Br)C(=O)O

InChI

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