[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H22N4O3S/c30-23(26-18-13-15-20(16-14-18)29-28-19-7-2-1-3-8-19)17-32-25(31)12-6-11-24-27-21-9-4-5-10-22(21)33-24/h1-5,7-10,13-16H,6,11-12,17H2,(H,26,30)