ethyl 2-[4,6-dimethyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,6-dimethyl-2-(5-nitrofuran-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,6-dimethyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,6-dimethyl-2-[(5-nitro-2-furanyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,6-dimethyl-2-(5-nitrofuran-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,6-dimethyl-2-(5-nitro-2-furoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-])C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(O3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O6S/c1-4-26-15(22)9-20-16-11(3)7-10(2)8-13(16)28-18(20)19-17(23)12-5-6-14(27-12)21(24)25/h5-8H,4,9H2,1-3H3