O1-methyl O3-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl] ester O1-methyl ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O7S/c1-10(14-4-3-5-27-14)18-15(20)9-26-17(22)12-6-11(16(21)25-2)7-13(8-12)19(23)24/h3-8,10H,9H2,1-2H3,(H,18,20)/t10-/m1/s1