dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxidanidyl-phenyl)methylideneamino]-4-methylsulfanyl-butanoate

Systemtic Name: dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxidanidyl-phenyl)methylideneamino]-4-methylsulfanyl-butanoate Openeye Name: dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxido-phenyl)methyleneamino]-4-methylsulfanyl-butanoate CAS Name: dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-4-(methylthio)butanoate IUPAC Name: dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-4-methylsulfanylbutanoate Traditional Name: dibutyltin(2+); (2S)-2-[(4-methoxy-2-oxido-benzylidene)amino]-4-(methylthio)butyrate Formula: C21H33NO4SSn MolecularWeight: 514.26602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[Sn+2]CCCC.COC1=CC(=C(C=C1)C=NC(CCSC)C(=O)[O-])[O-]

Isomeric SMILES

CCCC[Sn+2]CCCC.COC1=CC(=C(C=C1)C=N[C@@H](CCSC)C(=O)[O-])[O-]

InChI

InChI=1S/C13H17NO4S.2C4H9.Sn/c1-18-10-4-3-9(12(15)7-10)8-14-11(13(16)17)5-6-19-2;2*1-3-4-2;/h3-4,7-8,11,15H,5-6H2,1-2H3,(H,16,17);2*1,3-4H2,2H3;/q;;;+2/p-2/t11-;;;/m0.../s1