ethyl 2-[6-nitro-2-(2-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-nitro-2-(2-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-nitro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[oxo-(2-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-nitro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(2-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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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=CC=C3OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O6S/c1-2-32-22(28)15-26-19-13-12-16(27(30)31)14-21(19)34-24(26)25-23(29)18-10-6-7-11-20(18)33-17-8-4-3-5-9-17/h3-14H,2,15H2,1H3