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

Systemtic Name: methyl 2-[2-cyclohexylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(N-[2-[[cyclohexyl(oxo)methyl]thio]-1-oxoethyl]-2,3,6-trimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(cyclohexanecarbonylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)N(CC(=O)OC)C(=O)CSC(=O)C2CCCCC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)N(CC(=O)OC)C(=O)CSC(=O)C2CCCCC2)C

InChI

InChI=1S/C21H29NO4S/c1-14-10-11-15(2)20(16(14)3)22(12-19(24)26-4)18(23)13-27-21(25)17-8-6-5-7-9-17/h10-11,17H,5-9,12-13H2,1-4H3