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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-[2-(2-ethylbutanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(N-[2-[(2-ethyl-1-oxobutyl)thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylbutanoylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(2-ethylbutanoylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-6-15(7-2)19(23)25-12-16(21)20(11-17(22)24-5)18-13(3)9-8-10-14(18)4/h8-10,15H,6-7,11-12H2,1-5H3