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

Systemtic Name: methyl 2-[[3-(methylaminomethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[3-(methylaminomethyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[3-(methylaminomethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[3-(methylaminomethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[3-(methylaminomethyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CNCC1=CC=CC(=C1)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C15H22N2O3S/c1-16-10-11-5-4-6-12(9-11)14(18)17-13(7-8-21-3)15(19)20-2/h4-6,9,13,16H,7-8,10H2,1-3H3,(H,17,18)