dimethyl 2-[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(N-phenyl-C-pyrrolidin-1-yl-carbonimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[[phenylimino(1-pyrrolidinyl)methyl]thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(N-phenyl-C-pyrrolidin-1-ylcarbonimidoyl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(N-phenyl-C-pyrrolidino-carbonimidoyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C23H25N3O5S/c1-30-21(28)16-10-11-18(22(29)31-2)19(14-16)25-20(27)15-32-23(26-12-6-7-13-26)24-17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,25,27)