[2-oxidanylidene-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[[(S)-phenyl(2-thienyl)methyl]amino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[[(S)-phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O5S/c23-18(13-27-20(24)15-8-4-9-16(12-15)22(25)26)21-19(17-10-5-11-28-17)14-6-2-1-3-7-14/h1-12,19H,13H2,(H,21,23)/t19-/m0/s1