methyl 4-[2-(4-azanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(4-azanyl-2-methyl-phenyl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-amino-2-methyl-phenyl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-amino-2-methylphenyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-amino-2-methylphenyl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-amino-2-methyl-phenyl)thio]acetyl]amino]butyric acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)N)SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C14H20N2O3S/c1-10-8-11(15)5-6-12(10)20-9-13(17)16-7-3-4-14(18)19-2/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,17)