4-[(2,6-ditert-butylpyridin-4-yl)methyl]-8-fluoranyl-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)methyl]-8-fluoranyl-6-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Openeye Name: 4-[(2,6-ditert-butyl-4-pyridyl)methyl]-8-fluoro-6-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one CAS Name: 4-[(2,6-ditert-butyl-4-pyridinyl)methyl]-8-fluoro-6-[(Z)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[(2,6-ditert-butylpyridin-4-yl)methyl]-8-fluoro-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Traditional Name: 4-[(2,6-ditert-butyl-4-pyridyl)methyl]-8-fluoro-6-[(Z)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one Formula: C26H28FN3O3S2 MolecularWeight: 513.647223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3F)C=C4C(=O)NC(=S)S4

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)CN2C(=O)COC3=C2C=C(C=C3F)/C=C\4/C(=O)NC(=S)S4

InChI

InChI=1S/C26H28FN3O3S2/c1-25(2,3)19-10-15(11-20(28-19)26(4,5)6)12-30-17-8-14(9-18-23(32)29-24(34)35-18)7-16(27)22(17)33-13-21(30)31/h7-11H,12-13H2,1-6H3,(H,29,32,34)/b18-9-