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

Systemtic Name: ethyl 3-methyl-4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-methyl-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-methyl-4-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-methyl-4-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-3-26-19(23)15-6-9-17(13(2)10-15)20-18(22)12-27-11-14-4-7-16(8-5-14)21(24)25/h4-10H,3,11-12H2,1-2H3,(H,20,22)