[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-azanyl-5-nitro-benzoate Openeye Name: [2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-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-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C2=CC=CS2)NC(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H17N3O5S/c21-16-9-8-14(23(26)27)11-15(16)20(25)28-12-18(24)22-19(17-7-4-10-29-17)13-5-2-1-3-6-13/h1-11,19H,12,21H2,(H,22,24)/t19-/m1/s1