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

Systemtic Name: diphenyltin(2+); (2S)-2-[(4-methoxy-2-oxidanidyl-phenyl)methylideneamino]-4-methylsulfanyl-butanoate Openeye Name: diphenyltin(2+); (2S)-2-[(4-methoxy-2-oxido-phenyl)methyleneamino]-4-methylsulfanyl-butanoate CAS Name: diphenyltin(2+); (2S)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-4-(methylthio)butanoate IUPAC Name: diphenyltin(2+); (2S)-2-[(4-methoxy-2-oxidophenyl)methylideneamino]-4-methylsulfanylbutanoate Traditional Name: diphenyltin(2+); (2S)-2-[(4-methoxy-2-oxido-benzylidene)amino]-4-(methylthio)butyrate Formula: C25H25NO4SSn MolecularWeight: 554.2453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NC(CCSC)C(=O)[O-])[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

Isomeric SMILES

COC1=CC(=C(C=C1)C=N[C@@H](CCSC)C(=O)[O-])[O-].C1=CC=C(C=C1)[Sn+2]C2=CC=CC=C2

InChI

InChI=1S/C13H17NO4S.2C6H5.Sn/c1-18-10-4-3-9(12(15)7-10)8-14-11(13(16)17)5-6-19-2;2*1-2-4-6-5-3-1;/h3-4,7-8,11,15H,5-6H2,1-2H3,(H,16,17);2*1-5H;/q;;;+2/p-2/t11-;;;/m0.../s1