3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione IUPAC Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-5-esyl-1,3-benzoxazole-2-thione Formula: C16H23N2O4S2+ MolecularWeight: 371.49482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3CC(OC(C3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2C[NH+]3C[C@@H](O[C@H](C3)C)C

InChI

InChI=1S/C16H22N2O4S2/c1-4-24(19,20)13-5-6-15-14(7-13)18(16(23)22-15)10-17-8-11(2)21-12(3)9-17/h5-7,11-12H,4,8-10H2,1-3H3/p+1/t11-,12-/m0/s1