O3-(1,3-benzothiazol-2-ylmethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-(1,3-benzothiazol-2-ylmethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-(1,3-benzothiazol-2-ylmethyl) O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzothiazol-2-ylmethyl) ester O1-ethyl ester IUPAC Name: 3-O-(1,3-benzothiazol-2-ylmethyl) 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-(1,3-benzothiazol-2-ylmethyl) ester O1-ethyl ester Formula: C18H14N2O6S MolecularWeight: 386.37856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-2-25-17(21)11-7-12(9-13(8-11)20(23)24)18(22)26-10-16-19-14-5-3-4-6-15(14)27-16/h3-9H,2,10H2,1H3