[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-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] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-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=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c21-15-9-8-14(11-16(15)23(26)27)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