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

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c1-25-17(22)12-4-7-14(18)15(8-12)19-16(21)10-26-9-11-2-5-13(6-3-11)20(23)24/h2-8H,9-10H2,1H3,(H,19,21)