[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C16H15N3O6S/c20-14(18-16(22)17-7-6-13-5-2-8-26-13)10-25-15(21)11-3-1-4-12(9-11)19(23)24/h1-5,8-9H,6-7,10H2,(H2,17,18,20,22)