ethyl 3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-oxo-propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-keto-propionic acid ethyl ester Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)C(=O)CC1=NC2=CC=CC=C2S1

InChI

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