methyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]ethanoate Openeye Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-nitrophenyl)methylthio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-nitrophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-nitrobenzyl)thio]acetic acid methyl ester Formula: C10H11NO4S MolecularWeight: 241.26364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4S/c1-15-10(12)7-16-6-8-2-4-9(5-3-8)11(13)14/h2-5H,6-7H2,1H3