[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-methyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)N[C@H](C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H18N2O5S/c1-14-16(9-5-10-17(14)23(26)27)21(25)28-13-19(24)22-20(18-11-6-12-29-18)15-7-3-2-4-8-15/h2-12,20H,13H2,1H3,(H,22,24)/t20-/m1/s1