1-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)-3-cyclopropyl-propane-1,3-dione

Systemtic Name: 1-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)-3-cyclopropyl-propane-1,3-dione Openeye Name: 1-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)-3-cyclopropyl-propane-1,3-dione CAS Name: 1-[2-tert-butyl-4-(methylthio)-1,3-benzoxazol-7-yl]-3-cyclopropylpropane-1,3-dione IUPAC Name: 1-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)-3-cyclopropylpropane-1,3-dione Traditional Name: 1-[2-tert-butyl-4-(methylthio)-1,3-benzoxazol-7-yl]-3-cyclopropyl-propane-1,3-dione Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=CC(=C2O1)C(=O)CC(=O)C3CC3)SC

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=CC(=C2O1)C(=O)CC(=O)C3CC3)SC

InChI

InChI=1S/C18H21NO3S/c1-18(2,3)17-19-15-14(23-4)8-7-11(16(15)22-17)13(21)9-12(20)10-5-6-10/h7-8,10H,5-6,9H2,1-4H3