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

Systemtic Name: ethyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-[4-(methylthio)phenyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(4-methylsulfanylphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-[4-(methylthio)phenyl]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-4-26-19(23)15-9-14(10-16(11-15)21(24)25)18(22)20-12(2)13-5-7-17(27-3)8-6-13/h5-12H,4H2,1-3H3,(H,20,22)