methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-pentanoylsulfanylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-pentanoylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)propanoate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxopentylthio)ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)propanoate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(valerylthio)acetyl]anilino)propionic acid methyl ester Formula: C19H26BrNO4S MolecularWeight: 444.38304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)SCC(=O)N(C1=C(C=CC(=C1C)Br)C)C(C)C(=O)OC

Isomeric SMILES

CCCCC(=O)SCC(=O)N(C1=C(C=CC(=C1C)Br)C)C(C)C(=O)OC

InChI

InChI=1S/C19H26BrNO4S/c1-6-7-8-17(23)26-11-16(22)21(14(4)19(24)25-5)18-12(2)9-10-15(20)13(18)3/h9-10,14H,6-8,11H2,1-5H3