[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate Openeye Name: [2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-(1-pyrrolidinylmethyl)benzoic acid [2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 4-(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-(pyrrolidinomethyl)benzoic acid [2-keto-2-(2-thenylcarbamoylamino)ethyl] ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCC3=CC=CS3

InChI

InChI=1S/C20H23N3O4S/c24-18(22-20(26)21-12-17-4-3-11-28-17)14-27-19(25)16-7-5-15(6-8-16)13-23-9-1-2-10-23/h3-8,11H,1-2,9-10,12-14H2,(H2,21,22,24,26)