methyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-[4-(methylthio)phenyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-[4-(methylthio)phenyl]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H18N2O5S/c1-11(12-4-6-16(26-3)7-5-12)19-17(21)13-8-14(18(22)25-2)10-15(9-13)20(23)24/h4-11H,1-3H3,(H,19,21)