methyl 2-[[azanyl(phenyl)methylidene]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[azanyl(phenyl)methylidene]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[amino(phenyl)methylene]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[amino(phenyl)methylidene]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[amino(phenyl)methylidene]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[amino(phenyl)methylene]amino]-4-(methylthio)butyric acid methyl ester Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N=C(C1=CC=CC=C1)N

Isomeric SMILES

COC(=O)C(CCSC)N=C(C1=CC=CC=C1)N

InChI

InChI=1S/C13H18N2O2S/c1-17-13(16)11(8-9-18-2)15-12(14)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,14,15)