N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-keto-1-(3-nitrobenzyl)nicotinamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-2-31-17-7-8-18-19(11-17)32-22(23-18)24-21(28)15-6-9-20(27)25(13-15)12-14-4-3-5-16(10-14)26(29)30/h3-11,13H,2,12H2,1H3,(H,23,24,28)