2-chloranyl-2-[(E)-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]diazenyl]ethanoate

Systemtic Name: 2-chloranyl-2-[(E)-[4,5-dimethyl-3-(phenylcarbonyl)thiophen-2-yl]diazenyl]ethanoate Openeye Name: 2-[(E)-(3-benzoyl-4,5-dimethyl-2-thienyl)azo]-2-chloro-acetate CAS Name: 2-[(E)-(3-benzoyl-4,5-dimethyl-2-thiophenyl)azo]-2-chloroacetate IUPAC Name: 2-[(E)-(3-benzoyl-4,5-dimethylthiophen-2-yl)diazenyl]-2-chloroacetate Traditional Name: 2-[(E)-(3-benzoyl-4,5-dimethyl-2-thienyl)azo]-2-chloro-acetate Formula: C15H12ClN2O3S- MolecularWeight: 335.78538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)N=NC(C(=O)[O-])Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)C2=CC=CC=C2)/N=N/C(C(=O)[O-])Cl)C

InChI

InChI=1S/C15H13ClN2O3S/c1-8-9(2)22-14(18-17-13(16)15(20)21)11(8)12(19)10-6-4-3-5-7-10/h3-7,13H,1-2H3,(H,20,21)/p-1/b18-17+