ethyl 2-(6-nitro-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-nitro-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[6-nitro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H13N3O5S2/c1-2-24-14(20)9-18-11-6-5-10(19(22)23)8-13(11)26-16(18)17-15(21)12-4-3-7-25-12/h3-8H,2,9H2,1H3