6-tert-butyl-4-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-tert-butyl-4-[(4-pyrrolidin-1-ylcarbonyl-1,3-thiazol-2-yl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-tert-butyl-4-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-tert-butyl-4-[[4-[oxo(1-pyrrolidinyl)methyl]-2-thiazolyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-tert-butyl-4-[[4-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[[4-(pyrrolidine-1-carbonyl)thiazol-2-yl]methyl]-1,4-benzoxazin-3-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)14-6-7-17-16(10-14)24(19(25)12-27-17)11-18-22-15(13-28-18)20(26)23-8-4-5-9-23/h6-7,10,13H,4-5,8-9,11-12H2,1-3H3