(2-methylpropanoylamino) 3-[(4-methylphenyl)methylsulfanyl]-3-sulfanyl-propanoate

Systemtic Name: (2-methylpropanoylamino) 3-[(4-methylphenyl)methylsulfanyl]-3-sulfanyl-propanoate Openeye Name: (2-methylpropanoylamino) 3-(p-tolylmethylsulfanyl)-3-sulfanyl-propanoate CAS Name: 3-mercapto-3-[(4-methylphenyl)methylthio]propanoic acid [(2-methyl-1-oxopropyl)amino] ester IUPAC Name: (2-methylpropanoylamino) 3-[(4-methylphenyl)methylsulfanyl]-3-sulfanylpropanoate Traditional Name: 3-mercapto-3-[(4-methylbenzyl)thio]propionic acid (isobutyrylamino) ester Formula: C15H21NO3S2 MolecularWeight: 327.46214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(CC(=O)ONC(=O)C(C)C)S

Isomeric SMILES

CC1=CC=C(C=C1)CSC(CC(=O)ONC(=O)C(C)C)S

InChI

InChI=1S/C15H21NO3S2/c1-10(2)15(18)16-19-13(17)8-14(20)21-9-12-6-4-11(3)5-7-12/h4-7,10,14,20H,8-9H2,1-3H3,(H,16,18)