2-methylpropyl 5-phenoxy-4-propylsulfanyl-2-pyridin-3-ylcarbonyloxy-1,3-benzoxazole-6-carboxylate

Systemtic Name: 2-methylpropyl 5-phenoxy-4-propylsulfanyl-2-pyridin-3-ylcarbonyloxy-1,3-benzoxazole-6-carboxylate Openeye Name: isobutyl 5-phenoxy-4-propylsulfanyl-2-(pyridine-3-carbonyloxy)-1,3-benzoxazole-6-carboxylate CAS Name: 2-[oxo(3-pyridinyl)methoxy]-5-phenoxy-4-(propylthio)-1,3-benzoxazole-6-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-phenoxy-4-propylsulfanyl-2-(pyridine-3-carbonyloxy)-1,3-benzoxazole-6-carboxylate Traditional Name: 2-nicotinoyloxy-5-phenoxy-4-(propylthio)-1,3-benzoxazole-6-carboxylic acid isobutyl ester Formula: C27H26N2O6S MolecularWeight: 506.57014

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=CC2=C1N=C(O2)OC(=O)C3=CN=CC=C3)C(=O)OCC(C)C)OC4=CC=CC=C4

Isomeric SMILES

CCCSC1=C(C(=CC2=C1N=C(O2)OC(=O)C3=CN=CC=C3)C(=O)OCC(C)C)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O6S/c1-4-13-36-24-22-21(34-27(29-22)35-25(30)18-9-8-12-28-15-18)14-20(26(31)32-16-17(2)3)23(24)33-19-10-6-5-7-11-19/h5-12,14-15,17H,4,13,16H2,1-3H3