[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C16H14ClN3O6S MolecularWeight: 411.81686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CCNC(=O)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O6S/c17-10-3-4-12(13(8-10)20(24)25)15(22)26-9-14(21)19-16(23)18-6-5-11-2-1-7-27-11/h1-4,7-8H,5-6,9H2,(H2,18,19,21,23)