ethyl (4aS,10bR)-3-methylsulfonyl-4,4a,5,10b-tetrahydrochromeno[3,4-c]pyridine-2-carboxylate

Systemtic Name: ethyl (4aS,10bR)-3-methylsulfonyl-4,4a,5,10b-tetrahydrochromeno[3,4-c]pyridine-2-carboxylate Openeye Name: ethyl (4aS,10bR)-3-methylsulfonyl-4,4a,5,10b-tetrahydrochromeno[3,4-c]pyridine-2-carboxylate CAS Name: (4aS,10bR)-3-methylsulfonyl-4,4a,5,10b-tetrahydro[1]benzopyrano[3,4-c]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl (4aS,10bR)-3-methylsulfonyl-4,4a,5,10b-tetrahydrochromeno[3,4-c]pyridine-2-carboxylate Traditional Name: (4aS,10bR)-3-mesyl-4,4a,5,10b-tetrahydrochromeno[3,4-c]pyridine-2-carboxylic acid ethyl ester Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2C(CN1S(=O)(=O)C)COC3=CC=CC=C23

Isomeric SMILES

CCOC(=O)C1=C[C@@H]2[C@@H](CN1S(=O)(=O)C)COC3=CC=CC=C23

InChI

InChI=1S/C16H19NO5S/c1-3-21-16(18)14-8-13-11(9-17(14)23(2,19)20)10-22-15-7-5-4-6-12(13)15/h4-8,11,13H,3,9-10H2,1-2H3/t11-,13+/m0/s1