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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

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