ethyl 2-[4-chloranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-chloranyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-chloro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-chloro-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-chloro-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C16H12ClN3O6S MolecularWeight: 409.80098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O6S/c1-2-25-13(21)8-19-14-9(17)4-3-5-11(14)27-16(19)18-15(22)10-6-7-12(26-10)20(23)24/h3-7H,2,8H2,1H3