ethyl 5-cyclopropyl-4-[(8-fluoranyl-2,3-dihydro-1,4-benzoxathiin-5-yl)carbonyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-cyclopropyl-4-[(8-fluoranyl-2,3-dihydro-1,4-benzoxathiin-5-yl)carbonyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-cyclopropyl-4-(8-fluoro-2,3-dihydro-1,4-benzoxathiine-5-carbonyl)isoxazole-3-carboxylate CAS Name: 5-cyclopropyl-4-[(8-fluoro-2,3-dihydro-1,4-benzoxathiin-5-yl)-oxomethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyclopropyl-4-(8-fluoro-2,3-dihydro-1,4-benzoxathiine-5-carbonyl)-1,2-oxazole-3-carboxylate Traditional Name: 5-cyclopropyl-4-(8-fluoro-2,3-dihydro-1,4-benzoxathiin-5-carbonyl)isoxazole-3-carboxylic acid ethyl ester Formula: C18H16FNO5S MolecularWeight: 377.386743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C(=O)C2=C3C(=C(C=C2)F)OCCS3)C4CC4

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C(=O)C2=C3C(=C(C=C2)F)OCCS3)C4CC4

InChI

InChI=1S/C18H16FNO5S/c1-2-23-18(22)13-12(15(25-20-13)9-3-4-9)14(21)10-5-6-11(19)16-17(10)26-8-7-24-16/h5-6,9H,2-4,7-8H2,1H3