N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C22H19FN4O4S MolecularWeight: 454.474063

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)F

InChI

InChI=1S/C22H19FN4O4S/c1-13(28)24-14-6-7-15(16(23)10-14)17-12-32-22(25-17)26-20(29)8-9-27-18-4-2-3-5-19(18)31-11-21(27)30/h2-7,10,12H,8-9,11H2,1H3,(H,24,28)(H,25,26,29)