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

Systemtic Name: methyl 2-[5-nitro-2-(2-thiophen-2-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[5-nitro-2-[2-(2-thienyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-(1-oxo-2-thiophen-2-ylethyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-nitro-2-(2-thiophen-2-ylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[2-(2-thienyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CS3

Isomeric SMILES

COC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CS3

InChI

InChI=1S/C16H13N3O5S2/c1-24-15(21)9-18-12-7-10(19(22)23)4-5-13(12)26-16(18)17-14(20)8-11-3-2-6-25-11/h2-7H,8-9H2,1H3