ethyl (3aR,7aS)-7a-morpholin-4-yl-2-sulfanyl-1,3a,4,5,6,7-hexahydroindole-3-carboxylate

Systemtic Name: ethyl (3aR,7aS)-7a-morpholin-4-yl-2-sulfanyl-1,3a,4,5,6,7-hexahydroindole-3-carboxylate Openeye Name: ethyl (3aR,7aS)-7a-morpholino-2-sulfanyl-1,3a,4,5,6,7-hexahydroindole-3-carboxylate CAS Name: (3aR,7aS)-2-mercapto-7a-(4-morpholinyl)-1,3a,4,5,6,7-hexahydroindole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7aS)-7a-morpholin-4-yl-2-sulfanyl-1,3a,4,5,6,7-hexahydroindole-3-carboxylate Traditional Name: (3aR,7aS)-2-mercapto-7a-morpholino-1,3a,4,5,6,7-hexahydroindole-3-carboxylic acid ethyl ester Formula: C15H24N2O3S MolecularWeight: 312.42766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2(C1CCCC2)N3CCOCC3)S

Isomeric SMILES

CCOC(=O)C1=C(N[C@]2([C@@H]1CCCC2)N3CCOCC3)S

InChI

InChI=1S/C15H24N2O3S/c1-2-20-14(18)12-11-5-3-4-6-15(11,16-13(12)21)17-7-9-19-10-8-17/h11,16,21H,2-10H2,1H3/t11-,15+/m1/s1