methyl 3-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(2,2-dimethyl-1-oxopropyl)imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,2-dimethylpropanoylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-nitro-2-pivaloylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-16(2,3)14(21)17-15-18(8-7-13(20)24-4)11-6-5-10(19(22)23)9-12(11)25-15/h5-6,9H,7-8H2,1-4H3