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

Systemtic Name: ethyl 2-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[6-nitro-2-(1-oxopropylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(6-nitro-2-propanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(6-nitro-2-propionylimino-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-3-12(18)15-14-16(8-13(19)22-4-2)10-6-5-9(17(20)21)7-11(10)23-14/h5-7H,3-4,8H2,1-2H3