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

Systemtic Name: 6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: 6-ethyl-4-hydroxy-3-(4-methylthiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 6-ethyl-4-hydroxy-3-(4-methyl-2-thiazolyl)-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylate IUPAC Name: 6-ethyl-4-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)-7-oxo-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 6-ethyl-4-hydroxy-7-keto-3-(4-methylthiazol-2-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Formula: C16H16NO5S- MolecularWeight: 334.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=NC(=CS3)C)O

Isomeric SMILES

CCC1CC2=C(C(=C(OC2CC1=O)C(=O)[O-])C3=NC(=CS3)C)O

InChI

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