ethyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: ethyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-nitro-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-nitro-2-propionylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OCC

Isomeric SMILES

CCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CCC(=O)OCC

InChI

InChI=1S/C15H17N3O5S/c1-3-13(19)16-15-17(8-7-14(20)23-4-2)11-6-5-10(18(21)22)9-12(11)24-15/h5-6,9H,3-4,7-8H2,1-2H3