methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-cyclopentylcarbonylsulfanylethanoyl)amino]propanoate

Systemtic Name: methyl 2-[(3-chloranyl-2,6-dimethyl-phenyl)-(2-cyclopentylcarbonylsulfanylethanoyl)amino]propanoate Openeye Name: methyl 2-(3-chloro-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethyl-anilino)propanoate CAS Name: 2-(3-chloro-N-[2-[[cyclopentyl(oxo)methyl]thio]-1-oxoethyl]-2,6-dimethylanilino)propanoic acid methyl ester IUPAC Name: methyl 2-(3-chloro-N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,6-dimethylanilino)propanoate Traditional Name: 2-(3-chloro-N-[2-(cyclopentanecarbonylthio)acetyl]-2,6-dimethyl-anilino)propionic acid methyl ester Formula: C20H26ClNO4S MolecularWeight: 411.94274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO4S/c1-12-9-10-16(21)13(2)18(12)22(14(3)19(24)26-4)17(23)11-27-20(25)15-7-5-6-8-15/h9-10,14-15H,5-8,11H2,1-4H3