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

Systemtic Name: ethyl 3-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-[6-nitro-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(6-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(6-nitro-2-valerylimino-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-3-5-6-15(21)18-17-19(10-9-16(22)25-4-2)13-8-7-12(20(23)24)11-14(13)26-17/h7-8,11H,3-6,9-10H2,1-2H3