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methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxidanylidene-propanoate

methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxidanylidene-propanoate

Systemtic Name:methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxidanylidene-propanoate
Openeye Name:methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxo-propanoate
CAS Name:3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoic acid methyl ester
IUPAC Name:methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoate
Traditional Name:3-(1,3-benzothiazol-2-yl)-3-cyano-2-keto-propionic acid methyl ester
Formula: C12H8N2O3S
MolecularWeight: 260.26852
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C(C#N)C1=NC2=CC=CC=C2S1


Isomeric SMILES

COC(=O)C(=O)C(C#N)C1=NC2=CC=CC=C2S1


InChI

InChI=1S/C12H8N2O3S/c1-17-12(16)10(15)7(6-13)11-14-8-4-2-3-5-9(8)18-11/h2-5,7H,1H3


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