[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C16H16N2O7S2 MolecularWeight: 412.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7S2/c1-10(15(19)17-9-12-4-3-7-26-12)25-16(20)11-5-6-14(27(2,23)24)13(8-11)18(21)22/h3-8,10H,9H2,1-2H3,(H,17,19)