methyl 3-nitro-5-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[2-(2-thienylmethylsulfanyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(thiophen-2-ylmethylthio)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(2-thenylthio)ethylcarbamoyl]benzoic acid methyl ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S2/c1-23-16(20)12-7-11(8-13(9-12)18(21)22)15(19)17-4-6-24-10-14-3-2-5-25-14/h2-3,5,7-9H,4,6,10H2,1H3,(H,17,19)