ethyl 4-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O4S/c1-2-30-21(29)25-10-8-16(9-11-25)23-19(27)14-26-13-17(12-22-26)24-20(28)15-31-18-6-4-3-5-7-18/h3-7,12-13,16H,2,8-11,14-15H2,1H3,(H,23,27)(H,24,28)