[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c1-11-9-12(4-5-14(11)18(21)22)16(20)23-10-15(19)17-7-6-13-3-2-8-24-13/h2-5,8-9H,6-7,10H2,1H3,(H,17,19)