diethyl 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C22H24N2O8S/c1-4-31-21(26)15-9-16(22(27)32-5-2)11-17(10-15)23-20(25)13-33-12-14-6-7-19(30-3)18(8-14)24(28)29/h6-11H,4-5,12-13H2,1-3H3,(H,23,25)