ethyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]benzoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H24N2O4S/c1-2-28-22(27)16-9-11-17(12-10-16)23-21(26)18-7-3-4-8-19(18)29-15-20(25)24-13-5-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3,(H,23,26)