2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylammonio]-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[(4-ethoxy-3-methoxyphenyl)methyl-methylazaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[(4-ethoxy-3-methoxy-benzyl)-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetimidate Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C22H24N4O5S/c1-4-31-19-9-8-15(10-20(19)30-3)12-25(2)13-21(27)24-22-23-18(14-32-22)16-6-5-7-17(11-16)26(28)29/h5-11,14H,4,12-13H2,1-3H3,(H,23,24,27)