[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C16H16N2O5S2 MolecularWeight: 380.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S2/c19-15(17-6-8-24-11-14-5-2-7-25-14)10-23-16(20)12-3-1-4-13(9-12)18(21)22/h1-5,7,9H,6,8,10-11H2,(H,17,19)