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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

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

InChI

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