[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C20H25N3O4S/c1-14(2)23-20(26)22-12-15-5-7-16(8-6-15)19(25)27-13-18(24)21-10-9-17-4-3-11-28-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,24)(H2,22,23,26)