methyl 2-[[3-(aminomethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[3-(aminomethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-(aminomethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-(aminomethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CN

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)CN

InChI

InChI=1S/C14H20N2O3S/c1-19-14(18)12(6-7-20-2)16-13(17)11-5-3-4-10(8-11)9-15/h3-5,8,12H,6-7,9,15H2,1-2H3,(H,16,17)