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

Systemtic Name: methyl 2-[2-cyclohexylcarbonylsulfanylethanoyl-(2,6-dimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)acetate CAS Name: 2-(N-[2-[[cyclohexyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)acetate Traditional Name: 2-(N-[2-(cyclohexanecarbonylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4S/c1-14-8-7-9-15(2)19(14)21(12-18(23)25-3)17(22)13-26-20(24)16-10-5-4-6-11-16/h7-9,16H,4-6,10-13H2,1-3H3