(4-methylsulfanylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [4-(methylthio)benzyl] ester Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-4-24-17-10-15(19(21)22)14(9-16(17)23-2)18(20)25-11-12-5-7-13(26-3)8-6-12/h5-10H,4,11H2,1-3H3