methyl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]butanoate CAS Name: 4-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]butanoate Traditional Name: 4-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]butyric acid methyl ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC(=O)NCCCC(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC(=O)NCCCC(=O)OC

InChI

InChI=1S/C16H24N2O3S/c1-18(11-13-6-8-14(22-3)9-7-13)12-15(19)17-10-4-5-16(20)21-2/h6-9H,4-5,10-12H2,1-3H3,(H,17,19)