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

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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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=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O5S/c21-16-11-14(23(26)27)8-9-15(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,12H2,(H,22,24)