N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C21H21FN2O3S MolecularWeight: 400.466443

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3CCSC4=C3C=C(C=C4)F

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3CCSC4=C3C=C(C=C4)F

InChI

InChI=1S/C21H21FN2O3S/c1-13-21(26)24(17-4-2-3-5-18(17)27-13)10-8-20(25)23-16-9-11-28-19-7-6-14(22)12-15(16)19/h2-7,12-13,16H,8-11H2,1H3,(H,23,25)