2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazinan-4-one

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazinan-4-one Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-(2-pyridylmethyl)-1,3-thiazinan-4-one CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-(2-pyridinylmethyl)-1,3-thiazinan-4-one IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazinan-4-one Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-(2-pyridylmethyl)-1,3-thiazinan-4-one Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2N(C(=O)CCS2)CC3=CC=CC=N3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2N(C(=O)CCS2)CC3=CC=CC=N3)Br)OC

InChI

InChI=1S/C18H19BrN2O3S/c1-23-15-9-13(14(19)10-16(15)24-2)18-21(17(22)6-8-25-18)11-12-5-3-4-7-20-12/h3-5,7,9-10,18H,6,8,11H2,1-2H3