N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3,5-dinitro-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3,5-dinitro-benzamide Formula: C21H16N4O7S MolecularWeight: 468.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7S/c1-2-31-16-5-6-18-19(11-16)33-21(22-18)23(12-17-4-3-7-32-17)20(26)13-8-14(24(27)28)10-15(9-13)25(29)30/h3-11H,2,12H2,1H3