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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C24H20N4O3S MolecularWeight: 444.5056

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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)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H20N4O3S/c29-22(16-31-24(30)15-14-23-26-20-8-4-5-9-21(20)32-23)25-17-10-12-19(13-11-17)28-27-18-6-2-1-3-7-18/h1-13H,14-16H2,(H,25,29)