methyl 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]propanoate CAS Name: 3-hydroxy-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]propanoate Traditional Name: 3-hydroxy-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]propionic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C14H19NO4S/c1-10-4-3-5-11(6-10)8-20-9-13(17)15-12(7-16)14(18)19-2/h3-6,12,16H,7-9H2,1-2H3,(H,15,17)