ethyl 8-bromanyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate

Systemtic Name: ethyl 8-bromanyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 8-bromo-4-hydroxy-3-(2-methylthiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 8-bromo-4-hydroxy-3-(2-methyl-4-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 8-bromo-4-hydroxy-7-keto-3-(2-methylthiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)Br)O)C3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)C(C2O1)Br)O)C3=CSC(=N3)C

InChI

InChI=1S/C16H16BrNO5S/c1-3-22-16(21)15-11(9-6-24-7(2)18-9)13(20)8-4-5-10(19)12(17)14(8)23-15/h6,12,14,20H,3-5H2,1-2H3