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ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-propanoate

ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-propanoate

Systemtic Name:ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanylidene-propanoate
Openeye Name:ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxo-propanoate
CAS Name:3-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-oxopropanoic acid ethyl ester
IUPAC Name:ethyl 3-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
Traditional Name:2-keto-3-[(6-nitro-1H-benzimidazol-2-yl)thio]propionic acid ethyl ester
Formula: C12H11N3O5S
MolecularWeight: 309.29784
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C(=O)CSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]


InChI

InChI=1S/C12H11N3O5S/c1-2-20-11(17)10(16)6-21-12-13-8-4-3-7(15(18)19)5-9(8)14-12/h3-5H,2,6H2,1H3,(H,13,14)


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