2-[5-[[2-[(3-bromophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 2-[5-[[2-[(3-bromophenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 2-[5-[[2-(3-bromoanilino)-4-oxo-thiazol-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 2-[5-[[2-(3-bromoanilino)-4-oxo-5-thiazolylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 2-[5-[[2-(3-bromoanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 2-[5-[[2-(3-bromoanilino)-4-keto-2-thiazolin-5-ylidene]methyl]-2-furyl]benzoic acid Formula: C21H13BrN2O4S MolecularWeight: 469.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N=C(S3)NC4=CC(=CC=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N=C(S3)NC4=CC(=CC=C4)Br)C(=O)O

InChI

InChI=1S/C21H13BrN2O4S/c22-12-4-3-5-13(10-12)23-21-24-19(25)18(29-21)11-14-8-9-17(28-14)15-6-1-2-7-16(15)20(26)27/h1-11H,(H,26,27)(H,23,24,25)