methyl 2-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(p-tolylmethylsulfanyl)acetyl]amino]acetate CAS Name: 2-[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(4-methylbenzyl)thio]acetyl]amino]acetic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NCC(=O)OC

InChI

InChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)8-18-9-12(15)14-7-13(16)17-2/h3-6H,7-9H2,1-2H3,(H,14,15)