methyl 2-(5-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: methyl 2-(5-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-(5-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate CAS Name: 2-[5-nitro-2-(1-oxopentylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-(5-nitro-2-pentanoylimino-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(5-nitro-2-valerylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CCCCC(=O)N=C1N(C2=C(S1)C=CC(=C2)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C15H17N3O5S/c1-3-4-5-13(19)16-15-17(9-14(20)23-2)11-8-10(18(21)22)6-7-12(11)24-15/h6-8H,3-5,9H2,1-2H3