[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C22H19N3O4S/c26-19(20-7-4-14-30-20)12-13-22(28)29-15-21(27)23-16-8-10-18(11-9-16)25-24-17-5-2-1-3-6-17/h1-11,14H,12-13,15H2,(H,23,27)