dimethyl 5-[3-(phenylmethylsulfanyl)propanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-(phenylmethylsulfanyl)propanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-(3-benzylsulfanylpropanoylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-benzylsulfanylpropanoylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[3-(benzylthio)propanoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-25-19(23)15-10-16(20(24)26-2)12-17(11-15)21-18(22)8-9-27-13-14-6-4-3-5-7-14/h3-7,10-12H,8-9,13H2,1-2H3,(H,21,22)