O3-ethyl O2-methyl (3R,4aS,6R,8aS)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl (3R,4aS,6R,8aS)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl (3R,4aS,6R,8aS)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3R,4aS,6R,8aS)-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl (3R,4aS,6R,8aS)-6-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3R,4aS,6R,8aS)-6-[(1H-1,2,4-triazol-5-ylthio)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(CCC2CN1C(=O)OC)CSC3=NC=NN3

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]2C[C@@H](CC[C@@H]2CN1C(=O)OC)CSC3=NC=NN3

InChI

InChI=1S/C17H26N4O4S/c1-3-25-15(22)14-7-13-6-11(9-26-16-18-10-19-20-16)4-5-12(13)8-21(14)17(23)24-2/h10-14H,3-9H2,1-2H3,(H,18,19,20)/t11-,12-,13+,14-/m1/s1