N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C17H20N2O5S2/c1-26(21,22)19-11-16(24-15-7-3-2-6-14(15)19)17(20)18-8-10-25-12-13-5-4-9-23-13/h2-7,9,16H,8,10-12H2,1H3,(H,18,20)