ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18N4O8S MolecularWeight: 474.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])S2)CC(=O)OCC

InChI

InChI=1S/C20H18N4O8S/c1-3-31-15-5-6-16-17(10-15)33-20(22(16)11-18(25)32-4-2)21-19(26)12-7-13(23(27)28)9-14(8-12)24(29)30/h5-10H,3-4,11H2,1-2H3