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

Systemtic Name: methyl 2-[2-cyclohexylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(N-[2-[[cyclohexyl(oxo)methyl]thio]-1-oxoethyl]-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(cyclohexanecarbonylsulfanyl)acetyl]-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(cyclohexanecarbonylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C22H31NO4S MolecularWeight: 405.55084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4S/c1-14-11-12-15(2)20(16(14)3)23(17(4)21(25)27-5)19(24)13-28-22(26)18-9-7-6-8-10-18/h11-12,17-18H,6-10,13H2,1-5H3