methyl 2-[2-(2-methylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-(2-methyl-1-oxopropyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methylpropanoylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-isobutyrylimino-5-nitro-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O5S/c1-8(2)13(19)15-14-16(7-12(18)22-3)10-6-9(17(20)21)4-5-11(10)23-14/h4-6,8H,7H2,1-3H3