[(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-thiophen-2-ylethylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(1R)-2-keto-1-methyl-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)OC(=O)C2=CC=C(C=C2)CNC(=O)NC(C)C

InChI

InChI=1S/C21H27N3O4S/c1-14(2)24-21(27)23-13-16-6-8-17(9-7-16)20(26)28-15(3)19(25)22-11-10-18-5-4-12-29-18/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,22,25)(H2,23,24,27)/t15-/m1/s1