methyl 2-[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[6-[4-(1-ethylpropylsulfanyl)phenoxy]-3-pyridyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[6-[4-(pentan-3-ylthio)phenoxy]-3-pyridinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[6-(4-pentan-3-ylsulfanylphenoxy)pyridin-3-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[6-[4-(1-ethylpropylthio)phenoxy]-3-pyridyl]acetyl]amino]benzoic acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC(CC)SC1=CC=C(C=C1)OC2=NC=C(C=C2)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H28N2O4S/c1-4-20(5-2)33-21-13-11-19(12-14-21)32-25-15-10-18(17-27-25)16-24(29)28-23-9-7-6-8-22(23)26(30)31-3/h6-15,17,20H,4-5,16H2,1-3H3,(H,28,29)