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

Systemtic Name: methyl 2-[2-cyclopentylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]ethanoate Openeye Name: methyl 2-(N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,3,6-trimethyl-anilino)acetate CAS Name: 2-(N-[2-[[cyclopentyl(oxo)methyl]thio]-1-oxoethyl]-2,3,6-trimethylanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(cyclopentanecarbonylsulfanyl)acetyl]-2,3,6-trimethylanilino)acetate Traditional Name: 2-(N-[2-(cyclopentanecarbonylthio)acetyl]-2,3,6-trimethyl-anilino)acetic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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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)C2CCCC2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4S/c1-13-9-10-14(2)19(15(13)3)21(11-18(23)25-4)17(22)12-26-20(24)16-7-5-6-8-16/h9-10,16H,5-8,11-12H2,1-4H3