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

Systemtic Name: methyl 2-[(2,6-dimethylphenyl)-[2-(3-methylbut-2-enoylsulfanyl)ethanoyl]amino]ethanoate Openeye Name: methyl 2-(2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)acetate CAS Name: 2-(2,6-dimethyl-N-[2-[(3-methyl-1-oxobut-2-enyl)thio]-1-oxoethyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(2,6-dimethyl-N-[2-(3-methylbut-2-enoylsulfanyl)acetyl]anilino)acetate Traditional Name: 2-(2,6-dimethyl-N-[2-(3-methylbut-2-enoylthio)acetyl]anilino)acetic acid methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO4S/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/h6-9H,10-11H2,1-5H3