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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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