methyl 3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoate CAS Name: 3-methyl-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]butanoate Traditional Name: 3-methyl-2-[[3-[(methylthio)methyl]benzoyl]amino]butyric acid methyl ester Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)CSC

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1=CC(=CC=C1)CSC

InChI

InChI=1S/C15H21NO3S/c1-10(2)13(15(18)19-3)16-14(17)12-7-5-6-11(8-12)9-20-4/h5-8,10,13H,9H2,1-4H3,(H,16,17)