(phenylmethyl) 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylsulfanyl-pyridin-4-yl]butanoate

Systemtic Name: (phenylmethyl) 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylsulfanyl-pyridin-4-yl]butanoate Openeye Name: benzyl 4-[3-(tert-butoxycarbonylamino)-2-(2-pyridylsulfanyl)-4-pyridyl]butanoate CAS Name: 4-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(2-pyridinylthio)-4-pyridinyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylsulfanylpyridin-4-yl]butanoate Traditional Name: 4-[3-(tert-butoxycarbonylamino)-2-(2-pyridylthio)-4-pyridyl]butyric acid benzyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CN=C1SC2=CC=CC=N2)CCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CN=C1SC2=CC=CC=N2)CCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O4S/c1-26(2,3)33-25(31)29-23-20(15-17-28-24(23)34-21-13-7-8-16-27-21)12-9-14-22(30)32-18-19-10-5-4-6-11-19/h4-8,10-11,13,15-17H,9,12,14,18H2,1-3H3,(H,29,31)