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

Systemtic Name: methyl 2-[2-(2,2-diphenylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H19N3O5S MolecularWeight: 461.48976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C24H19N3O5S/c1-32-21(28)15-26-19-13-12-18(27(30)31)14-20(19)33-24(26)25-23(29)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3