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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-[2-(2-ethylhexanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(N-[2-[(2-ethyl-1-oxohexyl)thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(2-ethylhexanoylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(2-ethylhexanoylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO4S/c1-6-8-12-17(7-2)21(25)27-14-18(23)22(13-19(24)26-5)20-15(3)10-9-11-16(20)4/h9-11,17H,6-8,12-14H2,1-5H3