2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[(2-methoxy-5-methyl-phenyl)methyl-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[(2-methoxy-5-methylphenyl)methyl-methylammonio]-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[(2-methoxy-5-methylphenyl)methyl-methylazaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[(2-methoxy-5-methyl-benzyl)-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetimidate Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+](C)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H22N4O4S/c1-14-7-8-19(29-3)16(9-14)11-24(2)12-20(26)23-21-22-18(13-30-21)15-5-4-6-17(10-15)25(27)28/h4-10,13H,11-12H2,1-3H3,(H,22,23,26)