dimethyl 5-(2-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(2-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(phenylthio)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-phenylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[2-(phenylthio)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C19H19NO5S/c1-12(26-16-7-5-4-6-8-16)17(21)20-15-10-13(18(22)24-2)9-14(11-15)19(23)25-3/h4-12H,1-3H3,(H,20,21)