[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C23H16ClN3O3S MolecularWeight: 449.90944

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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)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H16ClN3O3S/c24-21-18-8-4-5-9-19(18)31-22(21)23(29)30-14-20(28)25-15-10-12-17(13-11-15)27-26-16-6-2-1-3-7-16/h1-13H,14H2,(H,25,28)