3-(1,3-benzodioxol-5-ylmethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazinan-4-one Traditional Name: 2-asaryl-3-piperonyl-1,3-thiazinan-4-one Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2N(C(=O)CCS2)CC3=CC4=C(C=C3)OCO4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2N(C(=O)CCS2)CC3=CC4=C(C=C3)OCO4)OC)OC

InChI

InChI=1S/C21H23NO6S/c1-24-16-10-18(26-3)17(25-2)9-14(16)21-22(20(23)6-7-29-21)11-13-4-5-15-19(8-13)28-12-27-15/h4-5,8-10,21H,6-7,11-12H2,1-3H3