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

Systemtic Name: 2-(2-bromanyl-4,5-dimethoxy-phenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one Openeye Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-(3-pyridylmethyl)-1,3-thiazinan-4-one CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-(3-pyridinylmethyl)-1,3-thiazinan-4-one IUPAC Name: 2-(2-bromo-4,5-dimethoxyphenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)-3-(3-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=CN=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2N(C(=O)CCS2)CC3=CN=CC=C3)Br)OC

InChI

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