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

Systemtic Name: ethyl 7-methyl-4-oxidanyl-5-oxidanylidene-3-(1,3-thiazol-4-yl)-6,7,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-7-methyl-5-oxo-3-thiazol-4-yl-6,7,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-7-methyl-5-oxo-3-(4-thiazolyl)-6,7,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-7-methyl-5-oxo-3-(1,3-thiazol-4-yl)-6,7,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-5-keto-7-methyl-3-thiazol-4-yl-6,7,8,8a-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(=C2C(O1)CC(CC2=O)C)O)C3=CSC=N3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C(O1)CC(CC2=O)C)O)C3=CSC=N3

InChI

InChI=1S/C16H17NO5S/c1-3-21-16(20)15-12(9-6-23-7-17-9)14(19)13-10(18)4-8(2)5-11(13)22-15/h6-8,11,19H,3-5H2,1-2H3