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

Systemtic Name: ethyl 3-(2-methyl-1,3-thiazol-4-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-3-(2-methylthiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-3-(2-methyl-4-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-(2-methyl-1,3-thiazol-4-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-3-(2-methylthiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CSC(=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2CCC(=O)CC2O1)O)C3=CSC(=N3)C

InChI

InChI=1S/C16H17NO5S/c1-3-21-16(20)15-13(11-7-23-8(2)17-11)14(19)10-5-4-9(18)6-12(10)22-15/h7,12,19H,3-6H2,1-2H3