O1-ethyl O3-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[4-(methylthio)phenyl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(4-methylsulfanylphenyl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-(methylthio)benzyl] ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO6S/c1-3-24-17(20)13-8-14(10-15(9-13)19(22)23)18(21)25-11-12-4-6-16(26-2)7-5-12/h4-10H,3,11H2,1-2H3