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

Systemtic Name: methyl 3-[6-nitro-2-(phenylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-benzoylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O5S/c1-26-16(22)9-10-20-14-8-7-13(21(24)25)11-15(14)27-18(20)19-17(23)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3