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

Systemtic Name: ethyl 5-methyl-4-oxidanyl-7-oxidanylidene-3-(2-phenyl-1,3-thiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Openeye Name: ethyl 4-hydroxy-5-methyl-7-oxo-3-(2-phenylthiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate CAS Name: 4-hydroxy-5-methyl-7-oxo-3-(2-phenyl-4-thiazolyl)-5,6,8,8a-tetrahydro-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-5-methyl-7-oxo-3-(2-phenyl-1,3-thiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylate Traditional Name: 4-hydroxy-7-keto-5-methyl-3-(2-phenylthiazol-4-yl)-5,6,8,8a-tetrahydrochromene-2-carboxylic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)C)O)C3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C(CC(=O)CC2O1)C)O)C3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5S/c1-3-27-22(26)20-18(15-11-29-21(23-15)13-7-5-4-6-8-13)19(25)17-12(2)9-14(24)10-16(17)28-20/h4-8,11-12,16,25H,3,9-10H2,1-2H3