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

Systemtic Name: ethyl 2-[2-(2,2-diphenylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2,2-diphenylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-(1-oxo-2,2-diphenylethyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,2-diphenylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,2-diphenylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O5S/c1-2-33-22(29)16-27-20-14-13-19(28(31)32)15-21(20)34-25(27)26-24(30)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,2,16H2,1H3