ethyl 4-(1,2-oxazol-3-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1,2-oxazol-3-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(isoxazol-3-ylcarbamothioylamino)benzoate CAS Name: 4-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,2-oxazol-3-ylcarbamothioylamino)benzoate Traditional Name: 4-(isoxazol-3-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NOC=C2

InChI

InChI=1S/C13H13N3O3S/c1-2-18-12(17)9-3-5-10(6-4-9)14-13(20)15-11-7-8-19-16-11/h3-8H,2H2,1H3,(H2,14,15,16,20)