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

Systemtic Name: ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-5,6-dimethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-5,6-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H18N4O9S MolecularWeight: 490.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC

Isomeric SMILES

CCOC(=O)CN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H18N4O9S/c1-4-33-18(25)10-22-14-8-15(31-2)16(32-3)9-17(14)34-20(22)21-19(26)11-5-12(23(27)28)7-13(6-11)24(29)30/h5-9H,4,10H2,1-3H3