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

Systemtic Name: methyl 2-[(4-aminophenyl)amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(4-aminoanilino)-4-methylsulfanyl-butanoate CAS Name: 2-(4-aminoanilino)-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(4-aminoanilino)-4-methylsulfanylbutanoate Traditional Name: 2-(4-aminoanilino)-4-(methylthio)butyric acid methyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC1=CC=C(C=C1)N

Isomeric SMILES

COC(=O)C(CCSC)NC1=CC=C(C=C1)N

InChI

InChI=1S/C12H18N2O2S/c1-16-12(15)11(7-8-17-2)14-10-5-3-9(13)4-6-10/h3-6,11,14H,7-8,13H2,1-2H3