(3S)-N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-fluoranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[4-(3-fluoro-4-methoxyphenyl)-2-thiazolyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C21H17FN2O4S MolecularWeight: 412.434083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C21H17FN2O4S/c1-21(10-13-5-3-4-6-14(13)18(25)28-21)19(26)24-20-23-16(11-29-20)12-7-8-17(27-2)15(22)9-12/h3-9,11H,10H2,1-2H3,(H,23,24,26)/t21-/m0/s1