Analyte Name

1,1,2,2,2-pentadeuterioethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Molecular Formula

C18 D5 H14 N O3 S2

Molecular Weight

366.509

Accurate Mass

366.112

SMILES

[2H]C([2H])([2H])C([2H])([2H])OC(=O)C1Cc2ccccc2CN1C(=O)c3ccc(SC)s3

InChI

InChI=1S/C18H19NO3S2/c1-3-22-18(21)14-10-12-6-4-5-7-13(12)11-19(14)17(20)15-8-9-16(23-2)24-15/h4-9,14H,3,10-11H2,1-2H3/i1D3,3D2

IUPAC

1,1,2,2,2-pentadeuterioethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Unlabelled CAS Number

1254944-66-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat