methyl 4-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[[3-(methylsulfanylmethyl)phenyl]carbonylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]pentanoate CAS Name: 4-methyl-2-[[[3-[(methylthio)methyl]phenyl]-oxomethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[3-(methylsulfanylmethyl)benzoyl]amino]pentanoate Traditional Name: 4-methyl-2-[[3-[(methylthio)methyl]benzoyl]amino]valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20-3)17-15(18)13-7-5-6-12(9-13)10-21-4/h5-7,9,11,14H,8,10H2,1-4H3,(H,17,18)