propan-2-yl 4-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[2-(pyridin-4-ylmethylsulfanyl)pyridin-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[2-(4-pyridylmethylsulfanyl)pyridine-3-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[2-(pyridin-4-ylmethylthio)-3-pyridinyl]methyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(pyridin-4-ylmethylsulfanyl)pyridine-3-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-pyridylmethylthio)nicotinoyl]amino]benzoic acid isopropyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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