[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 4-nitrobenzoate CAS Name: 4-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-nitrobenzoate Traditional Name: 4-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=CSC(=C1)CCNC(=O)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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