dimethyl 5-(3-methylsulfanylpropanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(3-methylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-methylsulfanylpropanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[3-(methylthio)-1-oxopropyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-methylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[3-(methylthio)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSC)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSC)C(=O)OC

InChI

InChI=1S/C14H17NO5S/c1-19-13(17)9-6-10(14(18)20-2)8-11(7-9)15-12(16)4-5-21-3/h6-8H,4-5H2,1-3H3,(H,15,16)