2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-methylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-(methylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(methylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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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=C2CC1C(=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)