ethanedioic acid; N-methyl-N-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-yl-ethanamide

Systemtic Name: ethanedioic acid; N-methyl-N-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-yl-ethanamide Openeye Name: N-methyl-N-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-yl-acetamide; oxalic acid CAS Name: N-methyl-N-[4-(phenylthio)phenyl]-2-(1-pyrrolidinyl)acetamide; oxalic acid IUPAC Name: N-methyl-N-(4-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide; oxalic acid Traditional Name: N-methyl-N-[4-(phenylthio)phenyl]-2-pyrrolidino-acetamide; oxalic acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)SC2=CC=CC=C2)C(=O)CN3CCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2OS.C2H2O4/c1-20(19(22)15-21-13-5-6-14-21)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17;3-1(4)2(5)6/h2-4,7-12H,5-6,13-15H2,1H3;(H,3,4)(H,5,6)