ethyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(5-chloranyl-2-nitro-phenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(5-chloro-2-nitro-benzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-chloro-2-nitrophenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-chloro-2-nitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-chloro-2-nitro-benzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18ClN3O7S MolecularWeight: 479.89082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O7S/c1-4-31-18(25)10-23-14-8-15(29-2)16(30-3)9-17(14)32-20(23)22-19(26)12-7-11(21)5-6-13(12)24(27)28/h5-9H,4,10H2,1-3H3