methyl 3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-24-17(21)13-3-2-4-14(9-13)18-16(20)11-25-10-12-5-7-15(8-6-12)19(22)23/h2-9H,10-11H2,1H3,(H,18,20)