[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 5-nitro-2-(p-tolylsulfanyl)benzoate CAS Name: 2-[(4-methylphenyl)thio]-5-nitrobenzoic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-(4-methylphenyl)sulfanyl-5-nitrobenzoate Traditional Name: 5-nitro-2-(p-tolylthio)benzoic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3CCCO3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C21H22N2O6S/c1-14-4-7-17(8-5-14)30-19-9-6-15(23(26)27)11-18(19)21(25)29-13-20(24)22-12-16-3-2-10-28-16/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,22,24)/t16-/m1/s1