4-(4-hydroxyphenyl)-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide

Systemtic Name: 4-(4-hydroxyphenyl)-N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-2-oxidanyl-2-(thian-4-yl)but-3-ynamide Openeye Name: 2-hydroxy-4-(4-hydroxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide CAS Name: 2-hydroxy-4-(4-hydroxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-thianyl)-3-butynamide IUPAC Name: 2-hydroxy-4-(4-hydroxyphenyl)-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(thian-4-yl)but-3-ynamide Traditional Name: 2-hydroxy-4-(4-hydroxyphenyl)-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-tetrahydrothiopyran-4-yl-but-3-ynamide Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(C#CC3=CC=C(C=C3)O)(C4CCSCC4)O

Isomeric SMILES

CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(C#CC3=CC=C(C=C3)O)(C4CCSCC4)O

InChI

InChI=1S/C24H22N2O5S/c1-15-21-14-18(4-7-20(21)22(28)31-26-15)25-23(29)24(30,17-9-12-32-13-10-17)11-8-16-2-5-19(27)6-3-16/h2-7,14,17,27,30H,9-10,12-13H2,1H3,(H,25,29)