N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-methylsulfanyl-benzamide

Systemtic Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-methylsulfanyl-benzamide Openeye Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-methylsulfanyl-benzamide CAS Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-(methylthio)benzamide IUPAC Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-methylsulfanylbenzamide Traditional Name: N-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-2-methoxy-N-methyl-4-(methylthio)benzamide Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H26N2O3S/c1-5-23-14-15(26-19-9-7-6-8-18(19)23)13-22(2)21(24)17-11-10-16(27-4)12-20(17)25-3/h6-12,15H,5,13-14H2,1-4H3/t15-/m1/s1