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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-(2-pentanoylsulfanylethanoyl)amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[1-oxo-2-(1-oxopentylthio)ethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-(2-pentanoylsulfanylacetyl)anilino)acetate Traditional Name: 2-(2,6-dimethyl-N-[2-(valerylthio)acetyl]anilino)acetic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-5-6-10-17(22)24-12-15(20)19(11-16(21)23-4)18-13(2)8-7-9-14(18)3/h7-9H,5-6,10-12H2,1-4H3