tert-butyl 2-[(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-[(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazol-7-yl)carbonyl]-3-cyclopropyl-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carbonyl)-3-cyclopropyl-3-oxo-propanoate CAS Name: 2-[[2-tert-butyl-4-(methylthio)-1,3-benzoxazol-7-yl]-oxomethyl]-3-cyclopropyl-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-tert-butyl-4-methylsulfanyl-1,3-benzoxazole-7-carbonyl)-3-cyclopropyl-3-oxopropanoate Traditional Name: 2-[2-tert-butyl-4-(methylthio)-1,3-benzoxazole-7-carbonyl]-3-cyclopropyl-3-keto-propionic acid tert-butyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-22(2,3)21-24-16-14(30-7)11-10-13(19(16)28-21)18(26)15(17(25)12-8-9-12)20(27)29-23(4,5)6/h10-12,15H,8-9H2,1-7H3