methyl 2-[(4-fluoranyl-1,2-benzoxazol-3-yl)carbamothioylamino]propanoate

Systemtic Name: methyl 2-[(4-fluoranyl-1,2-benzoxazol-3-yl)carbamothioylamino]propanoate Openeye Name: methyl 2-[(4-fluoro-1,2-benzoxazol-3-yl)carbamothioylamino]propanoate CAS Name: 2-[[[(4-fluoro-1,2-benzoxazol-3-yl)amino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-1,2-benzoxazol-3-yl)carbamothioylamino]propanoate Traditional Name: 2-[(4-fluoroindoxazen-3-yl)thiocarbamoylamino]propionic acid methyl ester Formula: C12H12FN3O3S MolecularWeight: 297.305383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=S)NC1=NOC2=C1C(=CC=C2)F

Isomeric SMILES

CC(C(=O)OC)NC(=S)NC1=NOC2=C1C(=CC=C2)F

InChI

InChI=1S/C12H12FN3O3S/c1-6(11(17)18-2)14-12(20)15-10-9-7(13)4-3-5-8(9)19-16-10/h3-6H,1-2H3,(H2,14,15,16,20)