methyl 2-[(2,6-dimethylphenyl)-[2-(3-methylbutanoylsulfanyl)ethanoyl]amino]ethanoate

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-[2-(3-methylbutanoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-[2-(3-methylbutanoylsulfanyl)acetyl]anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[2-[(3-methyl-1-oxobutyl)thio]-1-oxoethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-[2-(3-methylbutanoylsulfanyl)acetyl]anilino)acetate Traditional Name: 2-(N-[2-(isovalerylthio)acetyl]-2,6-dimethyl-anilino)acetic acid methyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-12(2)9-17(22)24-11-15(20)19(10-16(21)23-5)18-13(3)7-6-8-14(18)4/h6-8,12H,9-11H2,1-5H3