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

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NC(=O)NCCC2=CC=CS2)C#N

InChI

InChI=1S/C17H15N3O4S/c18-10-12-3-1-4-13(9-12)16(22)24-11-15(21)20-17(23)19-7-6-14-5-2-8-25-14/h1-5,8-9H,6-7,11H2,(H2,19,20,21,23)