[2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenyldiazenylphenyl)amino]ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-oxo-2-(4-phenylazoanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-oxo-2-(4-phenyldiazenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-keto-2-(4-phenylazoanilino)ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3S/c1-14-12-19(15(2)28-14)21(26)27-13-20(25)22-16-8-10-18(11-9-16)24-23-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,25)