methyl 2-[(4-chlorophenyl)methylideneamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylideneamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[(4-chlorophenyl)methyleneamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(4-chlorophenyl)methylideneamino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylideneamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chlorobenzylidene)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N=CC1=CC=C(C=C1)Cl

Isomeric SMILES

COC(=O)C(CCSC)N=CC1=CC=C(C=C1)Cl

InChI

InChI=1S/C13H16ClNO2S/c1-17-13(16)12(7-8-18-2)15-9-10-3-5-11(14)6-4-10/h3-6,9,12H,7-8H2,1-2H3