[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 4-(4-chlorophenyl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-nitrobenzoic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 4-(4-chlorophenyl)sulfanyl-3-nitrobenzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-nitro-benzoic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C20H19ClN2O6S MolecularWeight: 450.89266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN2O6S/c21-14-4-6-16(7-5-14)30-18-8-3-13(10-17(18)23(26)27)20(25)29-12-19(24)22-11-15-2-1-9-28-15/h3-8,10,15H,1-2,9,11-12H2,(H,22,24)/t15-/m1/s1