methyl 4-[2-(6-bromanyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate

Systemtic Name: methyl 4-[2-(6-bromanyl-1,3-benzodioxol-5-yl)-4-oxidanylidene-1,3-thiazolidin-3-yl]benzoate Openeye Name: methyl 4-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxo-thiazolidin-3-yl]benzoate CAS Name: 4-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxo-3-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]benzoate Traditional Name: 4-[2-(6-bromo-1,3-benzodioxol-5-yl)-4-keto-thiazolidin-3-yl]benzoic acid methyl ester Formula: C18H14BrNO5S MolecularWeight: 436.27646

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(SCC2=O)C3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(SCC2=O)C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H14BrNO5S/c1-23-18(22)10-2-4-11(5-3-10)20-16(21)8-26-17(20)12-6-14-15(7-13(12)19)25-9-24-14/h2-7,17H,8-9H2,1H3