(2-azanyl-2-oxidanylidene-ethyl) 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (2-amino-2-oxo-ethyl) 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (2-amino-2-keto-ethyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)OCC(=O)N

InChI

InChI=1S/C12H15NO3S/c1-9-2-4-10(5-3-9)7-17-8-12(15)16-6-11(13)14/h2-5H,6-8H2,1H3,(H2,13,14)