6-bromanyl-3-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]carbonyl]chromen-2-one

Systemtic Name: 6-bromanyl-3-[[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]carbonyl]chromen-2-one Openeye Name: 6-bromo-3-[2-(2,4,5-trimethoxyphenyl)thiazolidine-3-carbonyl]chromen-2-one CAS Name: 6-bromo-3-[oxo-[2-(2,4,5-trimethoxyphenyl)-3-thiazolidinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carbonyl]chromen-2-one Traditional Name: 3-(2-asarylthiazolidine-3-carbonyl)-6-bromo-coumarin Formula: C22H20BrNO6S MolecularWeight: 506.3663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2N(CCS2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2N(CCS2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O)OC)OC

InChI

InChI=1S/C22H20BrNO6S/c1-27-17-11-19(29-3)18(28-2)10-14(17)21-24(6-7-31-21)20(25)15-9-12-8-13(23)4-5-16(12)30-22(15)26/h4-5,8-11,21H,6-7H2,1-3H3