ethyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate

Systemtic Name: ethyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate Openeye Name: ethyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-[3-(phenylthio)propylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-(3-phenylsulfanylpropylcarbamoyl)benzoate Traditional Name: 3-nitro-5-[3-(phenylthio)propylcarbamoyl]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)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-2-26-19(23)15-11-14(12-16(13-15)21(24)25)18(22)20-9-6-10-27-17-7-4-3-5-8-17/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,20,22)