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

Systemtic Name: methyl 2-[2-cyclopentylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)propanoate CAS Name: 2-(N-[2-[[cyclopentyl(oxo)methyl]thio]-1-oxoethyl]-2,3,6-trimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,3,6-trimethylanilino)propanoate Traditional Name: 2-(N-[2-(cyclopentanecarbonylthio)acetyl]-2,3,6-trimethyl-anilino)propionic 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(C(C)C(=O)OC)C(=O)CSC(=O)C2CCCC2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2CCCC2)C

InChI

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