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

Systemtic Name: dimethyl 5-(3-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-(phenylthio)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[3-(phenylthio)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H19NO5S/c1-24-18(22)13-10-14(19(23)25-2)12-15(11-13)20-17(21)8-9-26-16-6-4-3-5-7-16/h3-7,10-12H,8-9H2,1-2H3,(H,20,21)