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

Systemtic Name: methyl 2-[(3-bromanyl-2,6-dimethyl-phenyl)-(2-pentanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(3-bromo-2,6-dimethyl-N-[1-oxo-2-(1-oxopentylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(3-bromo-2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(3-bromo-2,6-dimethyl-N-[2-(valerylthio)acetyl]anilino)acetic acid methyl ester Formula: C18H24BrNO4S MolecularWeight: 430.35646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrNO4S/c1-5-6-7-17(23)25-11-15(21)20(10-16(22)24-4)18-12(2)8-9-14(19)13(18)3/h8-9H,5-7,10-11H2,1-4H3