N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22ClFN2O4S2 MolecularWeight: 472.981083

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O4S2/c1-2-30(26,27)24-12-19(28-18-9-4-3-8-17(18)24)20(25)23-10-11-29-13-14-15(21)6-5-7-16(14)22/h3-9,19H,2,10-13H2,1H3,(H,23,25)