ethyl 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[(2-chloranyl-5-nitro-phenyl)methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(2-chloro-5-nitro-phenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chloro-5-nitrophenyl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chloro-5-nitro-benzyl)thio]acetic acid ethyl ester Formula: C11H12ClNO4S MolecularWeight: 289.73528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)CSCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H12ClNO4S/c1-2-17-11(14)7-18-6-8-5-9(13(15)16)3-4-10(8)12/h3-5H,2,6-7H2,1H3