5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: 5-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-methylbenzyl)thio]acetyl]amino]isophthalate Formula: C18H15NO5S-2 MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-11-3-2-4-12(5-11)9-25-10-16(20)19-15-7-13(17(21)22)6-14(8-15)18(23)24/h2-8H,9-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)/p-2