ethyl 3-[2,1,3-benzoxadiazol-5-yl(carbamothioyl)amino]propanoate

Systemtic Name: ethyl 3-[2,1,3-benzoxadiazol-5-yl(carbamothioyl)amino]propanoate Openeye Name: ethyl 3-[2,1,3-benzoxadiazol-5-yl(carbamothioyl)amino]propanoate CAS Name: 3-[2,1,3-benzoxadiazol-5-yl(carbamothioyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2,1,3-benzoxadiazol-5-yl(carbamothioyl)amino]propanoate Traditional Name: 3-[benzofurazan-5-yl(thiocarbamoyl)amino]propionic acid ethyl ester Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC2=NON=C2C=C1)C(=S)N

Isomeric SMILES

CCOC(=O)CCN(C1=CC2=NON=C2C=C1)C(=S)N

InChI

InChI=1S/C12H14N4O3S/c1-2-18-11(17)5-6-16(12(13)20)8-3-4-9-10(7-8)15-19-14-9/h3-4,7H,2,5-6H2,1H3,(H2,13,20)