6-tert-butyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-4-methylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[2-[(4-methylphenyl)thio]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[2-(4-methylphenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-4-mesyl-N-[2-(p-tolylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CN(C3=C(O2)C=CC(=C3)C(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C23H30N2O4S2/c1-16-6-9-18(10-7-16)30-13-12-24-22(26)21-15-25(31(5,27)28)19-14-17(23(2,3)4)8-11-20(19)29-21/h6-11,14,21H,12-13,15H2,1-5H3,(H,24,26)