ethyl 2-[4-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[2-(4-pyridylmethylsulfanyl)pyridine-3-carbonyl]amino]phenyl]acetate CAS Name: 2-[4-[[oxo-[2-(pyridin-4-ylmethylthio)-3-pyridinyl]methyl]amino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonyl]amino]phenyl]acetate Traditional Name: 2-[4-[[2-(4-pyridylmethylthio)nicotinoyl]amino]phenyl]acetic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC=NC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-28-20(26)14-16-5-7-18(8-6-16)25-21(27)19-4-3-11-24-22(19)29-15-17-9-12-23-13-10-17/h3-13H,2,14-15H2,1H3,(H,25,27)