ethyl 3-(1,3-benzothiazol-5-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(1,3-benzothiazol-5-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(1,3-benzothiazol-5-yl)-3-oxo-propanoate CAS Name: 3-(1,3-benzothiazol-5-yl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-5-yl)-3-oxopropanoate Traditional Name: 3-(1,3-benzothiazol-5-yl)-3-keto-propionic acid ethyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C1=CC2=C(C=C1)SC=N2

Isomeric SMILES

CCOC(=O)CC(=O)C1=CC2=C(C=C1)SC=N2

InChI

InChI=1S/C12H11NO3S/c1-2-16-12(15)6-10(14)8-3-4-11-9(5-8)13-7-17-11/h3-5,7H,2,6H2,1H3