[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-12(27-18(23)15-6-7-16(28-15)21(24)25)17(22)19-13-2-4-14(5-3-13)20-8-10-26-11-9-20/h2-7,12H,8-11H2,1H3,(H,19,22)/t12-/m1/s1