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

Systemtic Name: ethyl 5-methyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-5-methyl-3-(2-methylthiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-5-methyl-3-(2-methyl-4-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-5-methyl-3-(2-methyl-1,3-thiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-5-methyl-3-(2-methylthiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C17H19NO5S MolecularWeight: 349.40146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)C)O)C3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)C)O)C3=CSC(=N3)C

InChI

InChI=1S/C17H19NO5S/c1-4-22-17(21)16-14(11-7-24-9(3)18-11)15(20)13-8(2)5-10(19)6-12(13)23-16/h7-8,12,20H,4-6H2,1-3H3