[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C15H14N2O5S2 MolecularWeight: 366.41206

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S2/c1-23-13-5-4-10(7-12(13)17(20)21)15(19)22-9-14(18)16-8-11-3-2-6-24-11/h2-7H,8-9H2,1H3,(H,16,18)