(3-bromophenyl) 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]benzoate

Systemtic Name: (3-bromophenyl) 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]iminomethyl]benzoate Openeye Name: (3-bromophenyl) 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]iminomethyl]benzoate CAS Name: 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]iminomethyl]benzoic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate Traditional Name: 4-[[4-(3H-1,3-benzothiazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]iminomethyl]benzoic acid (3-bromophenyl) ester Formula: C27H17BrN2O3S MolecularWeight: 529.40448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)N=CC4=CC=C(C=C4)C(=O)OC5=CC(=CC=C5)Br)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=CC3=O)N=CC4=CC=C(C=C4)C(=O)OC5=CC(=CC=C5)Br)S2

InChI

InChI=1S/C27H17BrN2O3S/c28-19-4-3-5-21(14-19)33-27(32)18-10-8-17(9-11-18)16-29-20-12-13-22(24(31)15-20)26-30-23-6-1-2-7-25(23)34-26/h1-16,30H