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

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-nitrobenzoate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-nitrobenzoate Traditional Name: 2-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=C(C(=C1)C(=O)OCC(=O)NCCSCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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