N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-(4-bromophenyl)isoxazol-5-yl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-(4-bromophenyl)-5-isoxazolyl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-(4-bromophenyl)isoxazol-5-yl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=C(O1)C(=O)NC2=CC(=NO2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1CSC(=C(O1)C(=O)NC2=CC(=NO2)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN2O3S/c21-15-8-6-13(7-9-15)16-12-17(26-23-16)22-20(24)18-19(27-11-10-25-18)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H,22,24)