ethyl 2-(3,5-dinitrophenyl)carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(3,5-dinitrophenyl)carbonylimino-3-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3,5-dinitrobenzoyl)imino-3-(2-ethoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(3,5-dinitrophenyl)-oxomethyl]imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dinitrobenzoyl)imino-3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3,5-dinitrobenzoyl)imino-3-(2-ethoxy-2-keto-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H18N4O9S MolecularWeight: 502.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O9S/c1-3-33-18(26)11-23-16-6-5-12(20(28)34-4-2)9-17(16)35-21(23)22-19(27)13-7-14(24(29)30)10-15(8-13)25(31)32/h5-10H,3-4,11H2,1-2H3