(3S)-2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CSCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c1-18-8-12(15)14-7-10-5-3-2-4-9(10)6-11(14)13(16)17/h2-5,11H,6-8H2,1H3,(H,16,17)/p-1/t11-/m0/s1