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

Systemtic Name: methyl 2-(2-cyclopropylcarbonylimino-5-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: methyl 2-[2-(cyclopropanecarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[cyclopropyl(oxo)methyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(cyclopropanecarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(cyclopropanecarbonylimino)-5-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CC3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3CC3

InChI

InChI=1S/C14H13N3O5S/c1-22-12(18)7-16-10-6-9(17(20)21)4-5-11(10)23-14(16)15-13(19)8-2-3-8/h4-6,8H,2-3,7H2,1H3