ethyl 3-[[2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpyrazolidin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[2-[2-(3-cyanopropylsulfanyl)pyridin-3-yl]carbonylpyrazolidin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]pyrazolidine-1-carbonyl]amino]benzoate CAS Name: 3-[[[2-[[2-(3-cyanopropylthio)-3-pyridinyl]-oxomethyl]-1-pyrazolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[2-(3-cyanopropylsulfanyl)pyridine-3-carbonyl]pyrazolidine-1-carbonyl]amino]benzoate Traditional Name: 3-[[2-[2-(3-cyanopropylthio)nicotinoyl]pyrazolidine-1-carbonyl]amino]benzoic acid ethyl ester Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CCCN2C(=O)C3=C(N=CC=C3)SCCCC#N

InChI

InChI=1S/C23H25N5O4S/c1-2-32-22(30)17-8-5-9-18(16-17)26-23(31)28-14-7-13-27(28)21(29)19-10-6-12-25-20(19)33-15-4-3-11-24/h5-6,8-10,12,16H,2-4,7,13-15H2,1H3,(H,26,31)