methyl 4-methylsulfanyl-2-[(phenylmethylidene)amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(phenylmethylidene)amino]butanoate Openeye Name: methyl 2-(benzylideneamino)-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[(phenylmethylene)amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylideneamino)-4-methylsulfanylbutanoate Traditional Name: 2-(benzalamino)-4-(methylthio)butyric acid methyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2S/c1-16-13(15)12(8-9-17-2)14-10-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3