1-[[2-[4-(2-methylpropoxycarbonyl)phenoxy]-1,3-benzoxazol-4-yl]sulfanyl]propan-2-yl pyridine-3-carboxylate

Systemtic Name: 1-[[2-[4-(2-methylpropoxycarbonyl)phenoxy]-1,3-benzoxazol-4-yl]sulfanyl]propan-2-yl pyridine-3-carboxylate Openeye Name: [2-[[2-(4-isobutoxycarbonylphenoxy)-1,3-benzoxazol-4-yl]sulfanyl]-1-methyl-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 1-[[2-[4-[2-methylpropoxy(oxo)methyl]phenoxy]-1,3-benzoxazol-4-yl]thio]propan-2-yl ester IUPAC Name: 1-[[2-[4-(2-methylpropoxycarbonyl)phenoxy]-1,3-benzoxazol-4-yl]sulfanyl]propan-2-yl pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[[2-(4-isobutoxycarbonylphenoxy)-1,3-benzoxazol-4-yl]thio]-1-methyl-ethyl] ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC3=C(O2)C=CC=C3SCC(C)OC(=O)C4=CN=CC=C4

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)OC2=NC3=C(O2)C=CC=C3SCC(C)OC(=O)C4=CN=CC=C4

InChI

InChI=1S/C27H26N2O6S/c1-17(2)15-32-25(30)19-9-11-21(12-10-19)34-27-29-24-22(35-27)7-4-8-23(24)36-16-18(3)33-26(31)20-6-5-13-28-14-20/h4-14,17-18H,15-16H2,1-3H3