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

Systemtic Name: methyl 2-[2-(2-methylpropanoylsulfanyl)ethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[2-[(2-methyl-1-oxopropyl)thio]-1-oxoethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-[2-(2-methylpropanoylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(N-[2-(isobutyrylthio)acetyl]-2,3,6-trimethyl-anilino)propionic acid methyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S/c1-11(2)19(23)25-10-16(21)20(15(6)18(22)24-7)17-13(4)9-8-12(3)14(17)5/h8-9,11,15H,10H2,1-7H3