(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-13(2)22-20(25)21-10-14-5-7-15(8-6-14)19(24)27-12-16-11-26-18(23-16)17-4-3-9-28-17/h3-9,11,13H,10,12H2,1-2H3,(H2,21,22,25)