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

Systemtic Name: ethyl 4-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C21H29N3O4S/c1-2-28-21(27)24-13-9-16(10-14-24)22-20(26)17-7-3-4-8-18(17)29-15-19(25)23-11-5-6-12-23/h3-4,7-8,16H,2,5-6,9-15H2,1H3,(H,22,26)