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

Systemtic Name: ethyl 3-nitro-5-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Openeye Name: ethyl 3-nitro-5-[2-(2-thienylmethylsulfanyl)ethylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[2-(thiophen-2-ylmethylthio)ethylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-nitro-5-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[2-(2-thenylthio)ethylcarbamoyl]benzoic acid ethyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-2-24-17(21)13-8-12(9-14(10-13)19(22)23)16(20)18-5-7-25-11-15-4-3-6-26-15/h3-4,6,8-10H,2,5,7,11H2,1H3,(H,18,20)