hexyl (6R)-3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate

Systemtic Name: hexyl (6R)-3-methyl-4-oxidanylidene-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Openeye Name: hexyl (6R)-3-methyl-4-oxo-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylate CAS Name: (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester IUPAC Name: hexyl (6R)-3-methyl-4-oxo-6-thiophen-2-yl-1,5,6,7-tetrahydroindole-2-carboxylate Traditional Name: (6R)-4-keto-3-methyl-6-(2-thienyl)-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(C2=C(N1)C[C@H](CC2=O)C3=CC=CS3)C

InChI

InChI=1S/C20H25NO3S/c1-3-4-5-6-9-24-20(23)19-13(2)18-15(21-19)11-14(12-16(18)22)17-8-7-10-25-17/h7-8,10,14,21H,3-6,9,11-12H2,1-2H3/t14-/m1/s1