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

Systemtic Name: propyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-2-15-29-23(28)17-9-11-18(12-10-17)24-22(27)19-7-3-4-8-20(19)30-16-21(26)25-13-5-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,24,27)