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

Systemtic Name: ethyl 3-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-2-25-18(22)14-4-3-5-15(10-14)19-17(21)12-26-11-13-6-8-16(9-7-13)20(23)24/h3-10H,2,11-12H2,1H3,(H,19,21)