ethyl 2-[5-nitro-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-nitro-2-(2-phenylsulfanylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-nitro-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5-nitro-2-[1-oxo-2-(phenylthio)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-nitro-2-(2-phenylsulfanylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[5-nitro-2-[2-(phenylthio)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O5S2/c1-2-27-18(24)11-21-15-10-13(22(25)26)8-9-16(15)29-19(21)20-17(23)12-28-14-6-4-3-5-7-14/h3-10H,2,11-12H2,1H3