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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C22H24N2O4S/c1-28-22(27)17-10-8-16(9-11-17)14-23-21(26)18-6-2-3-7-19(18)29-15-20(25)24-12-4-5-13-24/h2-3,6-11H,4-5,12-15H2,1H3,(H,23,26)