2-methyl-3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: 2-methyl-3-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: 2-methyl-3-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzoate CAS Name: 2-methyl-3-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-methyl-3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 2-methyl-3-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzoate Formula: C18H18NO3S- MolecularWeight: 328.40542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=CC(=C2C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC=CC(=C2C)C(=O)[O-]

InChI

InChI=1S/C18H19NO3S/c1-12-5-3-6-14(9-12)10-23-11-17(20)19-16-8-4-7-15(13(16)2)18(21)22/h3-9H,10-11H2,1-2H3,(H,19,20)(H,21,22)/p-1