methyl 2-[2-pentanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate

Systemtic Name: methyl 2-[2-pentanoylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-(1-oxopentylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(valerylthio)acetyl]anilino)acetic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-6-7-8-18(23)25-12-16(21)20(11-17(22)24-5)19-14(3)10-9-13(2)15(19)4/h9-10H,6-8,11-12H2,1-5H3