methyl 2-(5-methylsulfanyl-2-nitro-phenyl)ethanoate

Systemtic Name: methyl 2-(5-methylsulfanyl-2-nitro-phenyl)ethanoate Openeye Name: methyl 2-(5-methylsulfanyl-2-nitro-phenyl)acetate CAS Name: 2-[5-(methylthio)-2-nitrophenyl]acetic acid methyl ester IUPAC Name: methyl 2-(5-methylsulfanyl-2-nitrophenyl)acetate Traditional Name: 2-[5-(methylthio)-2-nitro-phenyl]acetic acid methyl ester Formula: C10H11NO4S MolecularWeight: 241.26364

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CC(=C1)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC1=C(C=CC(=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4S/c1-15-10(12)6-7-5-8(16-2)3-4-9(7)11(13)14/h3-5H,6H2,1-2H3