(4-methylsulfanylphenyl)methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H17NO5S/c1-3-22-16-9-6-13(10-15(16)18(20)21)17(19)23-11-12-4-7-14(24-2)8-5-12/h4-10H,3,11H2,1-2H3