methyl 3-(2-ethanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(2-ethanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-(2-acetylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-acetylimino-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-acetylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-acetylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N=C1N(C2=CC=CC=C2S1)CCC(=O)OC

Isomeric SMILES

CC(=O)N=C1N(C2=CC=CC=C2S1)CCC(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-9(16)14-13-15(8-7-12(17)18-2)10-5-3-4-6-11(10)19-13/h3-6H,7-8H2,1-2H3