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

Systemtic Name: dimethyl 5-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(m-tolylmethylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-methylbenzyl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-13-5-4-6-14(7-13)11-27-12-18(22)21-17-9-15(19(23)25-2)8-16(10-17)20(24)26-3/h4-10H,11-12H2,1-3H3,(H,21,22)