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

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [5-(2-thienyl)isoxazol-3-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=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

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