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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-5-9-16(2,15(19)20-3)17-14(18)13-8-6-7-12(10-13)11-21-4/h6-8,10H,5,9,11H2,1-4H3,(H,17,18)