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

Systemtic Name: ethyl 2-[5-nitro-2-(2-thiophen-2-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H15N3O5S2 MolecularWeight: 405.4481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S2/c1-2-25-16(22)10-19-13-8-11(20(23)24)5-6-14(13)27-17(19)18-15(21)9-12-4-3-7-26-12/h3-8H,2,9-10H2,1H3