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

Systemtic Name: ethyl 2-[2-(3,5-dinitrophenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3,5-dinitrophenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dinitrobenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3,5-dinitrobenzoyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H16N4O9S2 MolecularWeight: 508.48174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O9S2/c1-3-32-17(24)10-21-15-5-4-14(34(2,30)31)9-16(15)33-19(21)20-18(25)11-6-12(22(26)27)8-13(7-11)23(28)29/h4-9H,3,10H2,1-2H3