2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methyl-acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3S/c1-3-24-13-15(26-19-11-7-5-9-17(19)24)12-23(2)20(25)14-28-21-22-16-8-4-6-10-18(16)27-21/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1